CID 369575

Nsc641444

Structural Information

Molecular Formula
C19H24N6O4S
SMILES
CC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C
InChI
InChI=1S/C19H24N6O4S/c1-9(2)13-8-6-7-10(3)14(13)21-17(28)18(29)24-23-16(27)15-11(4)20-19(30-15)25-22-12(5)26/h6-9H,1-5H3,(H,20,25)(H,21,28)(H,22,26)(H,23,27)(H,24,29)
InChIKey
MAHPTXQTVYSZRC-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2-methyl-6-propan-2-ylphenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.158 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.16528 203.8
[M+Na]+ 455.14722 206.2
[M-H]- 431.15072 209.5
[M+NH4]+ 450.19182 212.7
[M+K]+ 471.12116 204.0
[M+H-H2O]+ 415.15526 194.4
[M+HCOO]- 477.15620 221.9
[M+CH3COO]- 491.17185 240.1
[M+Na-2H]- 453.13267 200.3
[M]+ 432.15745 205.3
[M]- 432.15855 205.3
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.