CID 60667

Risotilide

Structural Information

Molecular Formula
C15H27N3O4S2
SMILES
CC(C)NCCN(C(C)C)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C
InChI
InChI=1S/C15H27N3O4S2/c1-12(2)16-10-11-18(13(3)4)24(21,22)15-8-6-14(7-9-15)17-23(5,19)20/h6-9,12-13,16-17H,10-11H2,1-5H3
InChIKey
GLIRXHQYWRYQDV-UHFFFAOYSA-N
Compound name
4-(methanesulfonamido)-N-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

157
Patents

377.1443 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.15158 185.8
[M+Na]+ 400.13352 188.5
[M-H]- 376.13702 188.8
[M+NH4]+ 395.17812 197.2
[M+K]+ 416.10746 185.1
[M+H-H2O]+ 360.14156 177.5
[M+HCOO]- 422.14250 196.4
[M+CH3COO]- 436.15815 224.1
[M+Na-2H]- 398.11897 187.3
[M]+ 377.14375 190.0
[M]- 377.14485 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe