CID 73995

C.i. vat blue 43

Structural Information

Molecular Formula
C18H12N2O
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)N=C4C=CC(=O)C=C4
InChI
InChI=1S/C18H12N2O/c21-14-8-5-12(6-9-14)19-13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18/h1-11,20H
InChIKey
FMKXFJQAVQXMPX-UHFFFAOYSA-N
Compound name
4-(9H-carbazol-3-ylimino)cyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

195
Patents

272.09497 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.102246 159.6
[M+Na]+ 295.084188 169.7
[M-H]- 271.087694 167.5
[M+NH4]+ 290.128793 178.0
[M+K]+ 311.058128 162.7
[M+H-H2O]+ 255.092230 151.2
[M+HCOO]- 317.093171 183.3
[M+CH3COO]- 331.108821 172.4
[M+Na-2H]- 293.069636 167.1
[M]+ 272.09442142 159.3
[M]- 272.09551858 159.3
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