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]+ 289.14476 166.3
[M+Na]+ 311.12670 172.6
[M-H]- 287.13020 177.7
[M+NH4]+ 306.17130 181.2
[M+K]+ 327.10064 167.1
[M+H-H2O]+ 271.13474 156.3
[M+HCOO]- 333.13568 195.4
[M+CH3COO]- 347.15133 178.0
[M+Na-2H]- 309.11215 172.2
[M]+ 288.13693 161.5
[M]- 288.13803 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.