PubChemLite - Solvent red 196 (C23H18N4O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=O)N4C3=NC5=CC=CC=C54)C#N)O2

InChI

InChI=1S/C23H18N4O2/c1-3-26(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)23(28)27-19-8-6-5-7-18(19)25-22(16)27/h5-12H,3-4H2,1-2H3

InChIKey

UTTFXJZCRVZYQF-UHFFFAOYSA-N

Compound name

17-(diethylamino)-11-oxo-14-oxa-3,10-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaene-12-carbonitrile

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]+	383.15025	199.0
[M+Na]+	405.13219	216.0
[M+NH4]+	400.17679	204.0
[M+K]+	421.10613	204.7
[M-H]-	381.13569	197.3
[M+Na-2H]-	403.11764	201.4
[M]+	382.14242	200.5
[M]-	382.14352	200.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

383.15025

199.0

[M+Na]+

405.13219

216.0

[M+NH4]+

400.17679

204.0

[M+K]+

421.10613

204.7

[M-H]-

381.13569

197.3

[M+Na-2H]-

403.11764

201.4

[M]+

382.14242

200.5

[M]-

382.14352

200.5

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

Solvent red 196

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe