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]+ 312.13765 170.5
[M+Na]+ 334.11959 175.5
[M-H]- 310.12309 177.0
[M+NH4]+ 329.16419 182.4
[M+K]+ 350.09353 172.7
[M+H-H2O]+ 294.12763 162.4
[M+HCOO]- 356.12857 181.5
[M+CH3COO]- 370.14422 200.6
[M+Na-2H]- 332.10504 170.6
[M]+ 311.12982 166.3
[M]- 311.13092 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.