CID 393845

Nsc696772

Structural Information

Molecular Formula
C15H15N5O3S
SMILES
C1CC2=C(C(=C(N2C1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)N)C#N
InChI
InChI=1S/C15H15N5O3S/c16-8-11-12-2-1-7-20(12)14(13(11)17)15(21)19-9-3-5-10(6-4-9)24(18,22)23/h3-6H,1-2,7,17H2,(H,19,21)(H2,18,22,23)
InChIKey
NZDRWFLTDUMIHK-UHFFFAOYSA-N
Compound name
2-amino-1-cyano-N-(4-sulfamoylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.08957 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09685 191.5
[M+Na]+ 368.07879 201.2
[M-H]- 344.08229 196.4
[M+NH4]+ 363.12339 205.3
[M+K]+ 384.05273 195.8
[M+H-H2O]+ 328.08683 178.3
[M+HCOO]- 390.08777 205.3
[M+CH3COO]- 404.10342 223.0
[M+Na-2H]- 366.06424 190.2
[M]+ 345.08902 186.0
[M]- 345.09012 186.0
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.