CID 10308

Iminodibenzyl

Structural Information

Molecular Formula
C14H13N
SMILES
C1CC2=CC=CC=C2NC3=CC=CC=C31
InChI
InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2
InChIKey
ZSMRRZONCYIFNB-UHFFFAOYSA-N
Compound name
6,11-dihydro-5H-benzo[b][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

102
References

4748
Patents

195.1048 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11208 139.9
[M+Na]+ 218.09402 146.6
[M-H]- 194.09752 143.7
[M+NH4]+ 213.13862 158.3
[M+K]+ 234.06796 145.0
[M+H-H2O]+ 178.10206 134.7
[M+HCOO]- 240.10300 158.0
[M+CH3COO]- 254.11865 151.8
[M+Na-2H]- 216.07947 149.3
[M]+ 195.10425 134.0
[M]- 195.10535 134.0
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