CID 3079251

Brn 4208869

Structural Information

Molecular Formula
C15H16N4O3S
SMILES
CC1=CC=CC=C1C(=O)NNC(=O)CCC(=O)NC2=NC=CS2
InChI
InChI=1S/C15H16N4O3S/c1-10-4-2-3-5-11(10)14(22)19-18-13(21)7-6-12(20)17-15-16-8-9-23-15/h2-5,8-9H,6-7H2,1H3,(H,18,21)(H,19,22)(H,16,17,20)
InChIKey
MVUPWXQDAKCQHZ-UHFFFAOYSA-N
Compound name
4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10158 176.5
[M+Na]+ 355.08352 180.8
[M-H]- 331.08702 181.9
[M+NH4]+ 350.12812 189.8
[M+K]+ 371.05746 177.3
[M+H-H2O]+ 315.09156 167.6
[M+HCOO]- 377.09250 196.0
[M+CH3COO]- 391.10815 211.2
[M+Na-2H]- 353.06897 176.9
[M]+ 332.09375 177.7
[M]- 332.09485 177.7
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.