CID 46780435

1076198-18-9

Structural Information

Molecular Formula
C15H21N3O3S
SMILES
CC1=CC=CC=C1S(=O)(=O)NC(=O)NN2CC3CCCC3C2
InChI
InChI=1S/C15H21N3O3S/c1-11-5-2-3-8-14(11)22(20,21)17-15(19)16-18-9-12-6-4-7-13(12)10-18/h2-3,5,8,12-13H,4,6-7,9-10H2,1H3,(H2,16,17,19)
InChIKey
XLSAYFQNZDWDHT-UHFFFAOYSA-N
Compound name
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2-methylphenyl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

323.13037 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.137646 174.3
[M+Na]+ 346.119588 179.6
[M-H]- 322.123094 180.4
[M+NH4]+ 341.164193 191.5
[M+K]+ 362.093528 176.4
[M+H-H2O]+ 306.127630 168.2
[M+HCOO]- 368.128571 189.8
[M+CH3COO]- 382.144221 206.2
[M+Na-2H]- 344.105036 174.7
[M]+ 323.12982142 173.6
[M]- 323.13091858 173.6
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

patents stripe