CID 475824

3-fluoro-2,2-dimethyl-n-[4-(5-methylamino-naphthalene-1-sulfonylamino)-phenyl]-propionamide

Structural Information

Molecular Formula
C22H24FN3O3S
SMILES
CC(C)(CF)C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3NC
InChI
InChI=1S/C22H24FN3O3S/c1-22(2,14-23)21(27)25-15-10-12-16(13-11-15)26-30(28,29)20-9-5-6-17-18(20)7-4-8-19(17)24-3/h4-13,24,26H,14H2,1-3H3,(H,25,27)
InChIKey
NRRSZJMAUJCJIL-UHFFFAOYSA-N
Compound name
3-fluoro-2,2-dimethyl-N-[4-[[5-(methylamino)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

429.15225 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.15953 198.6
[M+Na]+ 452.14147 203.7
[M-H]- 428.14497 204.0
[M+NH4]+ 447.18607 208.6
[M+K]+ 468.11541 198.2
[M+H-H2O]+ 412.14951 189.1
[M+HCOO]- 474.15045 213.6
[M+CH3COO]- 488.16610 233.7
[M+Na-2H]- 450.12692 204.1
[M]+ 429.15170 199.8
[M]- 429.15280 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

patents stripe