CID 46235960

Epiglossier ap-1

Structural Information

Molecular Formula
C22H25FN2O4S
SMILES
CC(C)(C)C1=CC2=C(C=C1)C=C(CO2)C(=O)NCC3=CC(=C(C=C3)NS(=O)(=O)C)F
InChI
InChI=1S/C22H25FN2O4S/c1-22(2,3)17-7-6-15-10-16(13-29-20(15)11-17)21(26)24-12-14-5-8-19(18(23)9-14)25-30(4,27)28/h5-11,25H,12-13H2,1-4H3,(H,24,26)
InChIKey
OKFWUVPTFAUPEY-UHFFFAOYSA-N
Compound name
7-tert-butyl-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2H-chromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

432.15192 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.15920 201.4
[M+Na]+ 455.14114 207.4
[M-H]- 431.14464 207.8
[M+NH4]+ 450.18574 210.6
[M+K]+ 471.11508 203.8
[M+H-H2O]+ 415.14918 192.3
[M+HCOO]- 477.15012 213.5
[M+CH3COO]- 491.16577 232.0
[M+Na-2H]- 453.12659 205.4
[M]+ 432.15137 204.3
[M]- 432.15247 204.3
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

patents stripe