CID 12498159

2-methyl-5h-dibenz[b,f]azepine

Structural Information

Molecular Formula
C15H13N
SMILES
CC1=CC2=C(C=C1)NC3=CC=CC=C3C=C2
InChI
InChI=1S/C15H13N/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3
InChIKey
KBHZSHJGMSCTKN-UHFFFAOYSA-N
Compound name
3-methyl-11H-benzo[b][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.1048 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11208 143.6
[M+Na]+ 230.09402 151.8
[M-H]- 206.09752 148.0
[M+NH4]+ 225.13862 162.0
[M+K]+ 246.06796 150.0
[M+H-H2O]+ 190.10206 138.5
[M+HCOO]- 252.10300 162.8
[M+CH3COO]- 266.11865 155.9
[M+Na-2H]- 228.07947 152.7
[M]+ 207.10425 139.8
[M]- 207.10535 139.8
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