CID 5445606

303107-75-7

Structural Information

Molecular Formula
C19H20N4O3S
SMILES
CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C(\C)/C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C19H20N4O3S/c1-11-5-8-18(27-11)14-10-15(22-21-14)19(24)23-20-12(2)13-6-7-16(25-3)17(9-13)26-4/h5-10H,1-4H3,(H,21,22)(H,23,24)/b20-12+
InChIKey
NWCRHCHMUBHHPO-UDWIEESQSA-N
Compound name
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1256 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13288 190.9
[M+Na]+ 407.11482 201.4
[M+NH4]+ 402.15942 196.4
[M+K]+ 423.08876 197.7
[M-H]- 383.11832 194.9
[M+Na-2H]- 405.10027 197.4
[M]+ 384.12505 193.7
[M]- 384.12615 193.7
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.