CID 9908909

Bms-187308

Structural Information

Molecular Formula
C21H25N3O3S
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC=C2C3=C(C=C(C=C3)CC(C)C)N
InChI
InChI=1S/C21H25N3O3S/c1-13(2)11-16-9-10-17(19(22)12-16)18-7-5-6-8-20(18)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11,22H2,1-4H3
InChIKey
OZDIAVKCLFSBME-UHFFFAOYSA-N
Compound name
2-[2-amino-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

21
Patents

399.16165 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16893 197.6
[M+Na]+ 422.15087 205.6
[M-H]- 398.15437 207.4
[M+NH4]+ 417.19547 207.8
[M+K]+ 438.12481 201.1
[M+H-H2O]+ 382.15891 189.1
[M+HCOO]- 444.15985 214.3
[M+CH3COO]- 458.17550 226.7
[M+Na-2H]- 420.13632 196.7
[M]+ 399.16110 202.0
[M]- 399.16220 202.0
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