CID 11979337

Nsc640965

Structural Information

Molecular Formula
C16H17N7O6S
SMILES
CC1=CC(=C(C=C1)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C)[N+](=O)[O-]
InChI
InChI=1S/C16H17N7O6S/c1-7-4-5-10(11(6-7)23(28)29)18-14(26)15(27)21-20-13(25)12-8(2)17-16(30-12)22-19-9(3)24/h4-6H,1-3H3,(H,17,22)(H,18,26)(H,19,24)(H,20,25)(H,21,27)
InChIKey
NGJVWJLVDLZIQX-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(4-methyl-2-nitrophenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.0961 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.10338 192.3
[M+Na]+ 458.08532 193.3
[M-H]- 434.08882 197.9
[M+NH4]+ 453.12992 199.4
[M+K]+ 474.05926 187.4
[M+H-H2O]+ 418.09336 186.8
[M+HCOO]- 480.09430 212.9
[M+CH3COO]- 494.10995 229.9
[M+Na-2H]- 456.07077 195.0
[M]+ 435.09555 190.6
[M]- 435.09665 190.6
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.