CID 384495

Nsc674328

Structural Information

Molecular Formula
C16H18N4O4
SMILES
CC1=CC=C(C=C1)CC2=NN(C(=O)N2N(C(=O)C)C(=O)C)C(=O)C
InChI
InChI=1S/C16H18N4O4/c1-10-5-7-14(8-6-10)9-15-17-18(11(2)21)16(24)20(15)19(12(3)22)13(4)23/h5-8H,9H2,1-4H3
InChIKey
OOTIDNGGUVGHPE-UHFFFAOYSA-N
Compound name
N-acetyl-N-[1-acetyl-3-[(4-methylphenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1328 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14008 173.9
[M+Na]+ 353.12202 182.5
[M-H]- 329.12552 179.4
[M+NH4]+ 348.16662 186.1
[M+K]+ 369.09596 180.8
[M+H-H2O]+ 313.13006 164.8
[M+HCOO]- 375.13100 194.6
[M+CH3COO]- 389.14665 215.0
[M+Na-2H]- 351.10747 172.4
[M]+ 330.13225 179.0
[M]- 330.13335 179.0
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.