CID 340363

82203-92-7

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC(=O)N1C(C2=CC=CC=C2CC(=N1)C3=CC=CC=C3)OC
InChI
InChI=1S/C18H18N2O2/c1-13(21)20-18(22-2)16-11-7-6-10-15(16)12-17(19-20)14-8-4-3-5-9-14/h3-11,18H,12H2,1-2H3
InChIKey
DDZLBSGYVZUUDL-UHFFFAOYSA-N
Compound name
1-(1-methoxy-4-phenyl-1,5-dihydro-2,3-benzodiazepin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 167.7
[M+Na]+ 317.12606 174.6
[M-H]- 293.12956 173.8
[M+NH4]+ 312.17066 180.6
[M+K]+ 333.10000 174.8
[M+H-H2O]+ 277.13410 159.1
[M+HCOO]- 339.13504 185.6
[M+CH3COO]- 353.15069 178.3
[M+Na-2H]- 315.11151 172.1
[M]+ 294.13629 166.0
[M]- 294.13739 166.0
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.