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 183.6
[M+Na]+ 380.10394 190.8
[M-H]- 356.10744 191.2
[M+NH4]+ 375.14854 194.8
[M+K]+ 396.07788 192.1
[M+H-H2O]+ 340.11198 175.0
[M+HCOO]- 402.11292 197.8
[M+CH3COO]- 416.12857 217.8
[M+Na-2H]- 378.08939 186.6
[M]+ 357.11417 184.9
[M]- 357.11527 184.9
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.