CID 45879238

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5-(pyrrolidine-1-carbonyl)-1h-pyrrole-3-sulfonamide

Structural Information

Molecular Formula
C19H20N4O4S
SMILES
C1CCN(C1)C(=O)C2=CC(=CN2)S(=O)(=O)NC3=CC4=C(C=C3)OC(=N4)C5CC5
InChI
InChI=1S/C19H20N4O4S/c24-19(23-7-1-2-8-23)16-10-14(11-20-16)28(25,26)22-13-5-6-17-15(9-13)21-18(27-17)12-3-4-12/h5-6,9-12,20,22H,1-4,7-8H2
InChIKey
ZBWCJWVYPKPGOJ-UHFFFAOYSA-N
Compound name
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1205 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12778 186.3
[M+Na]+ 423.10972 196.0
[M-H]- 399.11322 197.3
[M+NH4]+ 418.15432 193.4
[M+K]+ 439.08366 191.2
[M+H-H2O]+ 383.11776 181.6
[M+HCOO]- 445.11870 200.6
[M+CH3COO]- 459.13435 196.2
[M+Na-2H]- 421.09517 185.1
[M]+ 400.11995 191.7
[M]- 400.12105 191.7
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.