CID 9212

Iminostilbene

Structural Information

Molecular Formula
C14H11N
SMILES
C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2
InChI
InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H
InChIKey
LCGTWRLJTMHIQZ-UHFFFAOYSA-N
Compound name
11H-benzo[b][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

152
References

9377
Patents

193.08914 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09642 139.0
[M+Na]+ 216.07836 146.8
[M-H]- 192.08186 143.2
[M+NH4]+ 211.12296 157.6
[M+K]+ 232.05230 145.0
[M+H-H2O]+ 176.08640 133.9
[M+HCOO]- 238.08734 158.5
[M+CH3COO]- 252.10299 151.4
[M+Na-2H]- 214.06381 149.4
[M]+ 193.08859 134.5
[M]- 193.08969 134.5
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.