CID 172328

Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-n-phenyl-, hydrochloride (1:1)

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 189.2
[M+Na]+ 386.16277 193.7
[M-H]- 362.16627 201.4
[M+NH4]+ 381.20737 199.7
[M+K]+ 402.13671 185.8
[M+H-H2O]+ 346.17081 177.9
[M+HCOO]- 408.17175 213.3
[M+CH3COO]- 422.18740 198.3
[M+Na-2H]- 384.14822 191.9
[M]+ 363.17300 182.2
[M]- 363.17410 182.2
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.