CID 14885

Permanent purple

Structural Information

Molecular Formula
C20H19N3
SMILES
CN=C1C=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=C1
InChI
InChI=1S/C20H19N3/c1-23-19-12-6-16(7-13-19)20(14-2-8-17(21)9-3-14)15-4-10-18(22)11-5-15/h2-13H,21-22H2,1H3
InChIKey
DWDURZSYQTXVIN-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6884
Patents

301.1579 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16518 173.0
[M+Na]+ 324.14712 178.5
[M-H]- 300.15062 182.9
[M+NH4]+ 319.19172 186.9
[M+K]+ 340.12106 172.3
[M+H-H2O]+ 284.15516 163.5
[M+HCOO]- 346.15610 197.9
[M+CH3COO]- 360.17175 183.6
[M+Na-2H]- 322.13257 175.7
[M]+ 301.15735 167.1
[M]- 301.15845 167.1
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