97670-09-2 (C24H30N4O3)

Structural Information

Molecular Formula

SMILES

CN1C2CCC1CN(C2)CC/C(=N/OC(=O)NC3=CC=C(C=C3)OC)/C4=CC=CC=C4

InChI

InChI=1S/C24H30N4O3/c1-27-20-10-11-21(27)17-28(16-20)15-14-23(18-6-4-3-5-7-18)26-31-24(29)25-19-8-12-22(30-2)13-9-19/h3-9,12-13,20-21H,10-11,14-17H2,1-2H3,(H,25,29)/b26-23-

InChIKey

KNYCXEUJYZEZKO-RWEWTDSWSA-N

Compound name

[(Z)-[3-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1-phenylpropylidene]amino] N-(4-methoxyphenyl)carbamate

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]+	423.239056	201.4
[M+Na]+	445.220998	203.1
[M-H]-	421.224504	207.6
[M+NH4]+	440.265603	211.1
[M+K]+	461.194938	199.1
[M+H-H2O]+	405.229040	190.0
[M+HCOO]-	467.229981	218.0
[M+CH3COO]-	481.245631	233.4
[M+Na-2H]-	443.206446	201.6
[M]+	422.23123142	200.9
[M]-	422.23232858	200.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

423.239056

201.4

[M+Na]+

445.220998

203.1

[M-H]-

421.224504

207.6

[M+NH4]+

440.265603

211.1

[M+K]+

461.194938

199.1

[M+H-H2O]+

405.229040

190.0

[M+HCOO]-

467.229981

218.0

[M+CH3COO]-

481.245631

233.4

[M+Na-2H]-

443.206446

201.6

[M]+

422.23123142

200.9

[M]-

422.23232858

200.9

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

97670-09-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe