CID 612759

42787-75-7

Structural Information

Molecular Formula
C15H10N2
SMILES
C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C#N
InChI
InChI=1S/C15H10N2/c16-11-17-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)17/h1-10H
InChIKey
KMJHZCLHURUEKI-UHFFFAOYSA-N
Compound name
benzo[b][1]benzazepine-11-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

218.0844 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.091676 150.5
[M+Na]+ 241.073618 161.6
[M-H]- 217.077124 154.8
[M+NH4]+ 236.118223 166.9
[M+K]+ 257.047558 157.2
[M+H-H2O]+ 201.081660 138.7
[M+HCOO]- 263.082601 167.6
[M+CH3COO]- 277.098251 161.5
[M+Na-2H]- 239.059066 158.6
[M]+ 218.08385142 143.6
[M]- 218.08494858 143.6
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