CID 374206

Nsc651696

Structural Information

Molecular Formula
C18H20N4O3S
SMILES
CC1(C2=NC3=CC=CC=C3N2CN(CO1)C4=CC=C(C=C4)S(=O)(=O)N)C
InChI
InChI=1S/C18H20N4O3S/c1-18(2)17-20-15-5-3-4-6-16(15)22(17)11-21(12-25-18)13-7-9-14(10-8-13)26(19,23)24/h3-10H,11-12H2,1-2H3,(H2,19,23,24)
InChIKey
WJILRHLBHDDLRJ-UHFFFAOYSA-N
Compound name
4-(1,1-dimethyl-3,5-dihydro-[1,3,5]oxadiazepino[5,6-a]benzimidazol-4-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1256 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13288 189.5
[M+Na]+ 395.11482 199.5
[M-H]- 371.11832 196.4
[M+NH4]+ 390.15942 201.7
[M+K]+ 411.08876 199.0
[M+H-H2O]+ 355.12286 180.9
[M+HCOO]- 417.12380 201.2
[M+CH3COO]- 431.13945 199.2
[M+Na-2H]- 393.10027 193.9
[M]+ 372.12505 190.7
[M]- 372.12615 190.7
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.