CID 11293

479-73-2

Structural Information

Molecular Formula
C19H17N3
SMILES
C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
InChI
InChI=1S/C19H17N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20H,21-22H2
InChIKey
AFAIELJLZYUNPW-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

85
References

10341
Patents

287.14224 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14952 168.0
[M+Na]+ 310.13146 173.5
[M-H]- 286.13496 176.7
[M+NH4]+ 305.17606 181.8
[M+K]+ 326.10540 166.6
[M+H-H2O]+ 270.13950 159.1
[M+HCOO]- 332.14044 191.8
[M+CH3COO]- 346.15609 178.4
[M+Na-2H]- 308.11691 170.9
[M]+ 287.14169 160.1
[M]- 287.14279 160.1
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