CID 5862236

303107-73-5

Structural Information

Molecular Formula
C19H20N4OS
SMILES
CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C/C3=CC=C(C=C3)C(C)C
InChI
InChI=1S/C19H20N4OS/c1-12(2)15-7-5-14(6-8-15)11-20-23-19(24)17-10-16(21-22-17)18-9-4-13(3)25-18/h4-12H,1-3H3,(H,21,22)(H,23,24)/b20-11+
InChIKey
OWJXFVDWWXPVME-RGVLZGJSSA-N
Compound name
5-(5-methylthiophen-2-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13577 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14305 184.5
[M+Na]+ 375.12499 192.7
[M-H]- 351.12849 193.4
[M+NH4]+ 370.16959 198.7
[M+K]+ 391.09893 186.9
[M+H-H2O]+ 335.13303 175.8
[M+HCOO]- 397.13397 204.8
[M+CH3COO]- 411.14962 195.4
[M+Na-2H]- 373.11044 182.3
[M]+ 352.13522 188.0
[M]- 352.13632 188.0
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.