CID 369236

Nsc640964

Structural Information

Molecular Formula
C17H20N6O4S
SMILES
CC1=C(C=C(C=C1)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C)C
InChI
InChI=1S/C17H20N6O4S/c1-8-5-6-12(7-9(8)2)19-15(26)16(27)22-21-14(25)13-10(3)18-17(28-13)23-20-11(4)24/h5-7H,1-4H3,(H,18,23)(H,19,26)(H,20,24)(H,21,25)(H,22,27)
InChIKey
YMNPMWRWDLUBOS-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(3,4-dimethylphenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.12668 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.13396 194.9
[M+Na]+ 427.11590 198.5
[M-H]- 403.11940 200.9
[M+NH4]+ 422.16050 205.0
[M+K]+ 443.08984 195.9
[M+H-H2O]+ 387.12394 185.6
[M+HCOO]- 449.12488 214.6
[M+CH3COO]- 463.14053 233.3
[M+Na-2H]- 425.10135 193.2
[M]+ 404.12613 196.3
[M]- 404.12723 196.3
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.