CID 504304

Schembl1177436

Structural Information

Molecular Formula
C16H17N5O3S2
SMILES
CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)N
InChI
InChI=1S/C16H17N5O3S2/c1-11-15(26(17,23)24)25-16(19-11)20(2)14(22)10-12-4-6-13(7-5-12)21-9-3-8-18-21/h3-9H,10H2,1-2H3,(H2,17,23,24)
InChIKey
CQSIGYGAGJNSSS-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

391.07727 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.08455 190.4
[M+Na]+ 414.06649 200.6
[M-H]- 390.06999 199.3
[M+NH4]+ 409.11109 202.3
[M+K]+ 430.04043 195.7
[M+H-H2O]+ 374.07453 182.8
[M+HCOO]- 436.07547 204.8
[M+CH3COO]- 450.09112 219.9
[M+Na-2H]- 412.05194 189.4
[M]+ 391.07672 196.6
[M]- 391.07782 196.6
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