CID 10880735

151746-34-8

Structural Information

Molecular Formula
C18H16N4
SMILES
C1=CC(=NC2=CC=C(C=C2)N)C=CC1=NC3=CC=C(C=C3)N
InChI
InChI=1S/C18H16N4/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H,19-20H2
InChIKey
NHEFDVPCWHJMGK-UHFFFAOYSA-N
Compound name
4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

288.13748 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.144756 166.3
[M+Na]+ 311.126698 172.6
[M-H]- 287.130204 177.7
[M+NH4]+ 306.171303 181.2
[M+K]+ 327.100638 167.1
[M+H-H2O]+ 271.134740 156.3
[M+HCOO]- 333.135681 195.4
[M+CH3COO]- 347.151331 178.0
[M+Na-2H]- 309.112146 172.2
[M]+ 288.13693142 161.5
[M]- 288.13802858 161.5
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