CID 677615

N,3-dimethyl-1-phenyl-1h-thieno[2,3-c]pyrazole-5-carboxamide

Structural Information

Molecular Formula
C14H13N3OS
SMILES
CC1=NN(C2=C1C=C(S2)C(=O)NC)C3=CC=CC=C3
InChI
InChI=1S/C14H13N3OS/c1-9-11-8-12(13(18)15-2)19-14(11)17(16-9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,18)
InChIKey
CMRBLDPBJXLCFS-UHFFFAOYSA-N
Compound name
N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

271.07794 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 160.6
[M+Na]+ 294.06716 172.3
[M-H]- 270.07066 167.8
[M+NH4]+ 289.11176 180.1
[M+K]+ 310.04110 167.7
[M+H-H2O]+ 254.07520 154.0
[M+HCOO]- 316.07614 181.0
[M+CH3COO]- 330.09179 174.1
[M+Na-2H]- 292.05261 161.8
[M]+ 271.07739 166.1
[M]- 271.07849 166.1
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

No patent data available for this compound.