CID 172328

68966-31-4

Structural Information

Molecular Formula
C25H21N3
SMILES
C1=CC=C(C=C1)N=C2C=CC(=C(C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)C=C2
InChI
InChI=1S/C25H21N3/c26-21-12-6-18(7-13-21)25(19-8-14-22(27)15-9-19)20-10-16-24(17-11-20)28-23-4-2-1-3-5-23/h1-17H,26-27H2
InChIKey
KGZFGLQZIUJRRF-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.17355 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.18083 193.3
[M+Na]+ 386.16277 208.8
[M+NH4]+ 381.20737 202.1
[M+K]+ 402.13671 198.1
[M-H]- 362.16627 204.7
[M+Na-2H]- 384.14822 206.4
[M]+ 363.17300 198.8
[M]- 363.17410 198.8
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.