CID 214457

33211-51-7

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]+ 358.121996 183.6
[M+Na]+ 380.103938 190.8
[M-H]- 356.107444 191.2
[M+NH4]+ 375.148543 194.8
[M+K]+ 396.077878 192.1
[M+H-H2O]+ 340.111980 175.0
[M+HCOO]- 402.112921 197.8
[M+CH3COO]- 416.128571 217.8
[M+Na-2H]- 378.089386 186.6
[M]+ 357.11417142 184.9
[M]- 357.11526858 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.