CID 53621388

1-benzyl-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine

Structural Information

Molecular Formula
C16H18N2
SMILES
C1CNC2=CC=CC=C2N(C1)CC3=CC=CC=C3
InChI
InChI=1S/C16H18N2/c1-2-7-14(8-3-1)13-18-12-6-11-17-15-9-4-5-10-16(15)18/h1-5,7-10,17H,6,11-13H2
InChIKey
YUBSXLDZMXWICV-UHFFFAOYSA-N
Compound name
5-benzyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.147 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 154.9
[M+Na]+ 261.13622 159.6
[M-H]- 237.13972 158.6
[M+NH4]+ 256.18082 168.8
[M+K]+ 277.11016 157.8
[M+H-H2O]+ 221.14426 146.6
[M+HCOO]- 283.14520 171.0
[M+CH3COO]- 297.16085 164.7
[M+Na-2H]- 259.12167 161.4
[M]+ 238.14645 147.3
[M]- 238.14755 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.