CID 364285

Nsc630303

Structural Information

Molecular Formula
C15H21N7O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)NNC2=NN=C(N2N)C
InChI
InChI=1S/C15H21N7O2/c1-9-5-4-6-10(2)14(9)17-12(23)7-8-13(24)19-21-15-20-18-11(3)22(15)16/h4-6H,7-8,16H2,1-3H3,(H,17,23)(H,19,24)(H,20,21)
InChIKey
ZYUNDXFUDCYZTM-UHFFFAOYSA-N
Compound name
4-[2-(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazinyl]-N-(2,6-dimethylphenyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.17566 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18294 178.4
[M+Na]+ 354.16488 184.5
[M-H]- 330.16838 182.1
[M+NH4]+ 349.20948 188.9
[M+K]+ 370.13882 181.0
[M+H-H2O]+ 314.17292 168.2
[M+HCOO]- 376.17386 201.7
[M+CH3COO]- 390.18951 221.0
[M+Na-2H]- 352.15033 179.8
[M]+ 331.17511 178.0
[M]- 331.17621 178.0
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.