CID 9571291

Nsc641430

Structural Information

Molecular Formula
C19H24N6O5S
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)C/C(=N/NC)/C(=O)NC2=C(C=C(C=C2)OC)OC
InChI
InChI=1S/C19H24N6O5S/c1-10-17(31-19(21-10)25-23-11(2)26)15(27)9-14(24-20-3)18(28)22-13-7-6-12(29-4)8-16(13)30-5/h6-8,20H,9H2,1-5H3,(H,21,25)(H,22,28)(H,23,26)/b24-14-
InChIKey
UZJXVBWYIUEEEI-OYKKKHCWSA-N
Compound name
(2Z)-4-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-N-(2,4-dimethoxyphenyl)-2-(methylhydrazinylidene)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.1529 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.16018 204.5
[M+Na]+ 471.14212 206.9
[M-H]- 447.14562 211.3
[M+NH4]+ 466.18672 213.0
[M+K]+ 487.11606 205.5
[M+H-H2O]+ 431.15016 194.3
[M+HCOO]- 493.15110 225.2
[M+CH3COO]- 507.16675 245.3
[M+Na-2H]- 469.12757 202.9
[M]+ 448.15235 209.9
[M]- 448.15345 209.9
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.