CID 369240

Nsc640971

Structural Information

Molecular Formula
C17H18N6O5S
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=CC=CC(=C2)C(=O)C
InChI
InChI=1S/C17H18N6O5S/c1-8-13(29-17(18-8)23-20-10(3)25)14(26)21-22-16(28)15(27)19-12-6-4-5-11(7-12)9(2)24/h4-7H,1-3H3,(H,18,23)(H,19,27)(H,20,25)(H,21,26)(H,22,28)
InChIKey
ABJJEKMKPILGSQ-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(3-acetylphenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.10593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.11321 196.4
[M+Na]+ 441.09515 198.7
[M-H]- 417.09865 202.0
[M+NH4]+ 436.13975 205.2
[M+K]+ 457.06909 196.9
[M+H-H2O]+ 401.10319 186.8
[M+HCOO]- 463.10413 215.5
[M+CH3COO]- 477.11978 234.6
[M+Na-2H]- 439.08060 194.8
[M]+ 418.10538 197.4
[M]- 418.10648 197.4
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.