CID 18612

Basic violet 2

Structural Information

Molecular Formula
C22H23N3
SMILES
CC1=CC(=C(C2=CC(=C(C=C2)N)C)C3=CC(=C(C=C3)N)C)C=CC1=N
InChI
InChI=1S/C22H23N3/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18/h4-12,23H,24-25H2,1-3H3
InChIKey
MUFPRITXEIBEMS-UHFFFAOYSA-N
Compound name
4-[(4-amino-3-methylphenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

2768
Patents

329.1892 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19648 183.4
[M+Na]+ 352.17842 190.3
[M-H]- 328.18192 192.7
[M+NH4]+ 347.22302 196.3
[M+K]+ 368.15236 183.1
[M+H-H2O]+ 312.18646 174.4
[M+HCOO]- 374.18740 206.0
[M+CH3COO]- 388.20305 222.2
[M+Na-2H]- 350.16387 182.2
[M]+ 329.18865 177.6
[M]- 329.18975 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe