CID 214457

Brn 0713232

Structural Information

Molecular Formula
C18H19N3O3S
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)N(C)S(=O)(=O)C)C3=CC=CC=C3
InChI
InChI=1S/C18H19N3O3S/c1-20-16-10-9-14(21(2)25(3,23)24)11-15(16)18(19-12-17(20)22)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKey
VEXKKOSFHJUSCA-UHFFFAOYSA-N
Compound name
N-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-7-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.11472 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12200 184.5
[M+Na]+ 380.10394 195.9
[M+NH4]+ 375.14854 190.4
[M+K]+ 396.07788 189.4
[M-H]- 356.10744 187.3
[M+Na-2H]- 378.08939 190.8
[M]+ 357.11417 187.4
[M]- 357.11527 187.4
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.