CID 369238

Nsc640968

Structural Information

Molecular Formula
C20H26N6O4S
SMILES
CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C
InChI
InChI=1S/C20H26N6O4S/c1-10-8-7-9-13(20(4,5)6)14(10)22-17(29)18(30)25-24-16(28)15-11(2)21-19(31-15)26-23-12(3)27/h7-9H,1-6H3,(H,21,26)(H,22,29)(H,23,27)(H,24,28)(H,25,30)
InChIKey
VEJOWXJRRZAKOX-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1736 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.18088 207.7
[M+Na]+ 469.16282 210.3
[M-H]- 445.16632 213.5
[M+NH4]+ 464.20742 216.3
[M+K]+ 485.13676 207.9
[M+H-H2O]+ 429.17086 198.8
[M+HCOO]- 491.17180 225.0
[M+CH3COO]- 505.18745 241.7
[M+Na-2H]- 467.14827 206.2
[M]+ 446.17305 209.5
[M]- 446.17415 209.5
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.