CID 21156058

72102-59-1

Structural Information

Molecular Formula
C24H28N3
SMILES
CC1=C(C=CC(=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C)N
InChI
InChI=1S/C24H27N3/c1-17-16-20(10-15-23(17)25)24(18-6-11-21(12-7-18)26(2)3)19-8-13-22(14-9-19)27(4)5/h6-16,25H,1-5H3/p+1
InChIKey
OJRBVGOEJVLGHI-UHFFFAOYSA-O
Compound name
[4-[(4-amino-3-methylphenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.22833 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.23561 193.3
[M+Na]+ 381.21755 197.2
[M-H]- 357.22105 204.8
[M+NH4]+ 376.26215 205.5
[M+K]+ 397.19149 187.0
[M+H-H2O]+ 341.22559 185.6
[M+HCOO]- 403.22653 216.3
[M+CH3COO]- 417.24218 224.4
[M+Na-2H]- 379.20300 194.1
[M]+ 358.22778 189.3
[M]- 358.22888 189.3
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

No patent data available for this compound.