CID 7344853

302917-77-7

Structural Information

Molecular Formula
C18H18N4OS
SMILES
CC1=CC=C(C=C1)/C(=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)C)/C
InChI
InChI=1S/C18H18N4OS/c1-11-4-7-14(8-5-11)13(3)19-22-18(23)16-10-15(20-21-16)17-9-6-12(2)24-17/h4-10H,1-3H3,(H,20,21)(H,22,23)/b19-13+
InChIKey
QAGYGVFONLLDNP-CPNJWEJPSA-N
Compound name
N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.12012 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12740 180.2
[M+Na]+ 361.10934 188.9
[M-H]- 337.11284 189.3
[M+NH4]+ 356.15394 195.0
[M+K]+ 377.08328 183.3
[M+H-H2O]+ 321.11738 171.8
[M+HCOO]- 383.11832 200.9
[M+CH3COO]- 397.13397 191.5
[M+Na-2H]- 359.09479 178.6
[M]+ 338.11957 183.4
[M]- 338.12067 183.4
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.