CID 369237

Nsc640966

Structural Information

Molecular Formula
C16H15N7O4S
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=CC=CC=C2C#N
InChI
InChI=1S/C16H15N7O4S/c1-8-12(28-16(18-8)23-20-9(2)24)13(25)21-22-15(27)14(26)19-11-6-4-3-5-10(11)7-17/h3-6H,1-2H3,(H,18,23)(H,19,26)(H,20,24)(H,21,25)(H,22,27)
InChIKey
KCNLKZVVKWYDQK-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2-cyanophenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.09064 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.09792 203.2
[M+Na]+ 424.07986 207.7
[M-H]- 400.08336 207.2
[M+NH4]+ 419.12446 211.3
[M+K]+ 440.05380 205.8
[M+H-H2O]+ 384.08790 186.9
[M+HCOO]- 446.08884 218.7
[M+CH3COO]- 460.10449 237.4
[M+Na-2H]- 422.06531 201.2
[M]+ 401.09009 197.8
[M]- 401.09119 197.8
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.