CID 369563

Nsc641427

Structural Information

Molecular Formula
C17H20N6O6S
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=CC(=C2)OC)OC
InChI
InChI=1S/C17H20N6O6S/c1-8-13(30-17(18-8)23-20-9(2)24)14(25)21-22-16(27)15(26)19-11-7-10(28-3)5-6-12(11)29-4/h5-7H,1-4H3,(H,18,23)(H,19,26)(H,20,24)(H,21,25)(H,22,27)
InChIKey
MUAYQIYLNBGLCG-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,5-dimethoxyphenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.11652 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.12380 198.5
[M+Na]+ 459.10574 201.2
[M-H]- 435.10924 204.3
[M+NH4]+ 454.15034 206.9
[M+K]+ 475.07968 200.2
[M+H-H2O]+ 419.11378 188.8
[M+HCOO]- 481.11472 218.6
[M+CH3COO]- 495.13037 238.0
[M+Na-2H]- 457.09119 197.7
[M]+ 436.11597 202.5
[M]- 436.11707 202.5
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.