CID 81960

N-nitrosodihydrodibenzazepine

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1CC2=CC=CC=C2N(C3=CC=CC=C31)N=O
InChI
InChI=1S/C14H12N2O/c17-15-16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2
InChIKey
AVXDYTPASFOWQY-UHFFFAOYSA-N
Compound name
11-nitroso-5,6-dihydrobenzo[b][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

224.09496 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.102236 146.0
[M+Na]+ 247.084178 153.8
[M-H]- 223.087684 152.7
[M+NH4]+ 242.128783 164.4
[M+K]+ 263.058118 154.1
[M+H-H2O]+ 207.092220 139.6
[M+HCOO]- 269.093161 168.2
[M+CH3COO]- 283.108811 158.8
[M+Na-2H]- 245.069626 155.9
[M]+ 224.09441142 144.0
[M]- 224.09550858 144.0
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