CID 475818

Bay-43-9695

Structural Information

Molecular Formula
C22H25N3O4S
SMILES
CC(C)(CO)C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3NC
InChI
InChI=1S/C22H25N3O4S/c1-22(2,14-26)21(27)24-15-10-12-16(13-11-15)25-30(28,29)20-9-5-6-17-18(20)7-4-8-19(17)23-3/h4-13,23,25-26H,14H2,1-3H3,(H,24,27)
InChIKey
YUJQCLQKLOZLMR-UHFFFAOYSA-N
Compound name
3-hydroxy-2,2-dimethyl-N-[4-[[5-(methylamino)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

427.1566 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.16388 198.0
[M+Na]+ 450.14582 202.2
[M-H]- 426.14932 203.3
[M+NH4]+ 445.19042 207.2
[M+K]+ 466.11976 197.3
[M+H-H2O]+ 410.15386 189.6
[M+HCOO]- 472.15480 212.7
[M+CH3COO]- 486.17045 231.2
[M+Na-2H]- 448.13127 204.1
[M]+ 427.15605 199.8
[M]- 427.15715 199.8
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.