CID 12448

3248-93-9

Structural Information

Molecular Formula
C20H19N3
SMILES
CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N
InChI
InChI=1S/C20H19N3/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15/h2-12,23H,21-22H2,1H3
InChIKey
YDCMWLQSPFTWCS-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1673
References

32096
Patents

301.1579 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16518 173.3
[M+Na]+ 324.14712 179.2
[M-H]- 300.15062 182.2
[M+NH4]+ 319.19172 186.7
[M+K]+ 340.12106 172.2
[M+H-H2O]+ 284.15516 164.3
[M+HCOO]- 346.15610 196.6
[M+CH3COO]- 360.17175 183.5
[M+Na-2H]- 322.13257 174.8
[M]+ 301.15735 166.0
[M]- 301.15845 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe