CID 6869549

302918-77-0

Structural Information

Molecular Formula
C16H13ClN4O2S
SMILES
COC1=CC=CC=C1/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl
InChI
InChI=1S/C16H13ClN4O2S/c1-23-13-5-3-2-4-10(13)9-18-21-16(22)12-8-11(19-20-12)14-6-7-15(17)24-14/h2-9H,1H3,(H,19,20)(H,21,22)/b18-9+
InChIKey
UXAVHBULFZMPAW-GIJQJNRQSA-N
Compound name
5-(5-chlorothiophen-2-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.04477 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.05205 182.0
[M+Na]+ 383.03399 192.3
[M-H]- 359.03749 191.1
[M+NH4]+ 378.07859 196.7
[M+K]+ 399.00793 185.7
[M+H-H2O]+ 343.04203 173.9
[M+HCOO]- 405.04297 199.8
[M+CH3COO]- 419.05862 193.5
[M+Na-2H]- 381.01944 181.9
[M]+ 360.04422 188.4
[M]- 360.04532 188.4
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

No patent data available for this compound.