CID 3781577

328106-72-5

Structural Information

Molecular Formula
C14H21N3O3S
SMILES
C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N
InChI
InChI=1S/C14H21N3O3S/c15-13-11-12(3-4-14(13)16-5-1-2-6-16)21(18,19)17-7-9-20-10-8-17/h3-4,11H,1-2,5-10,15H2
InChIKey
AVXOENYLRRSKPG-UHFFFAOYSA-N
Compound name
5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.13037 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.137646 170.5
[M+Na]+ 334.119588 175.5
[M-H]- 310.123094 177.0
[M+NH4]+ 329.164193 182.4
[M+K]+ 350.093528 172.7
[M+H-H2O]+ 294.127630 162.4
[M+HCOO]- 356.128571 181.5
[M+CH3COO]- 370.144221 200.6
[M+Na-2H]- 332.105036 170.6
[M]+ 311.12982142 166.3
[M]- 311.13091858 166.3
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.