PubChemLite - 1268449-00-8 (C34H36N5)

Structural Information

Molecular Formula

SMILES

CN1[C@H]([C@@H](N(C1=[N+]=C2N([C@H]([C@@H](N2C)C3=CC=CC=C3)C4=CC=CC=C4)C)C)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H36N5/c1-36-29(25-17-9-5-10-18-25)30(26-19-11-6-12-20-26)37(2)33(36)35-34-38(3)31(27-21-13-7-14-22-27)32(39(34)4)28-23-15-8-16-24-28/h5-24,29-32H,1-4H3/q+1/t29-,30-,31-,32-/m0/s1

InChIKey

MNLLEVSAYKUDQM-YDPTYEFTSA-N

Compound name

bis[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene]azanium

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	515.30434	237.9
[M+Na]+	537.28628	242.6
[M-H]-	513.28978	252.4
[M+NH4]+	532.33088	241.0
[M+K]+	553.26022	226.8
[M+H-H2O]+	497.29432	224.7
[M+HCOO]-	559.29526	252.4
[M+CH3COO]-	573.31091	243.0
[M+Na-2H]-	535.27173	231.2
[M]+	514.29651	232.2
[M]-	514.29761	232.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

515.30434

237.9

[M+Na]+

537.28628

242.6

[M-H]-

513.28978

252.4

[M+NH4]+

532.33088

241.0

[M+K]+

553.26022

226.8

[M+H-H2O]+

497.29432

224.7

[M+HCOO]-

559.29526

252.4

[M+CH3COO]-

573.31091

243.0

[M+Na-2H]-

535.27173

231.2

[M]+

514.29651

232.2

[M]-

514.29761

232.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1268449-00-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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