CID 45879238

Refchem:825299

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]+ 401.127776 186.3
[M+Na]+ 423.109718 196.0
[M-H]- 399.113224 197.3
[M+NH4]+ 418.154323 193.4
[M+K]+ 439.083658 191.2
[M+H-H2O]+ 383.117760 181.6
[M+HCOO]- 445.118701 200.6
[M+CH3COO]- 459.134351 196.2
[M+Na-2H]- 421.095166 185.1
[M]+ 400.11995142 191.7
[M]- 400.12104858 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.