CID 53432

Dazepinil

Structural Information

Molecular Formula
C17H18N2
SMILES
CC1=NC2=CC=CC=C2CC(N1C)C3=CC=CC=C3
InChI
InChI=1S/C17H18N2/c1-13-18-16-11-7-6-10-15(16)12-17(19(13)2)14-8-4-3-5-9-14/h3-11,17H,12H2,1-2H3
InChIKey
STDYWHYUOSSCBO-UHFFFAOYSA-N
Compound name
2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

516
Patents

250.147 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 158.1
[M+Na]+ 273.13622 165.7
[M-H]- 249.13972 164.1
[M+NH4]+ 268.18082 172.9
[M+K]+ 289.11016 164.5
[M+H-H2O]+ 233.14426 149.9
[M+HCOO]- 295.14520 176.7
[M+CH3COO]- 309.16085 169.4
[M+Na-2H]- 271.12167 164.1
[M]+ 250.14645 154.7
[M]- 250.14755 154.7
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