CID 46233927

Isopropylchromenamido fluorobenzyl methanesulfonamide

Structural Information

Molecular Formula
C21H23FN2O4S
SMILES
CC(C)C1=CC2=C(C=C1)C=C(CO2)C(=O)NCC3=CC(=C(C=C3)NS(=O)(=O)C)F
InChI
InChI=1S/C21H23FN2O4S/c1-13(2)15-5-6-16-9-17(12-28-20(16)10-15)21(25)23-11-14-4-7-19(18(22)8-14)24-29(3,26)27/h4-10,13,24H,11-12H2,1-3H3,(H,23,25)
InChIKey
TYOSHEICJQQNJO-UHFFFAOYSA-N
Compound name
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-7-propan-2-yl-2H-chromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

418.13626 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.14354 196.8
[M+Na]+ 441.12548 202.6
[M-H]- 417.12898 203.1
[M+NH4]+ 436.17008 206.4
[M+K]+ 457.09942 199.0
[M+H-H2O]+ 401.13352 187.4
[M+HCOO]- 463.13446 209.7
[M+CH3COO]- 477.15011 230.1
[M+Na-2H]- 439.11093 198.9
[M]+ 418.13571 199.4
[M]- 418.13681 199.4
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