CID 115992

63979-30-6

Structural Information

Molecular Formula
C16H22N4O
SMILES
CCCN(CCC)C(=O)C1=C(N(N=N1)C2=CC=CC=C2)C
InChI
InChI=1S/C16H22N4O/c1-4-11-19(12-5-2)16(21)15-13(3)20(18-17-15)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3
InChIKey
OTXYXYOEXXRCPM-UHFFFAOYSA-N
Compound name
5-methyl-1-phenyl-N,N-dipropyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.17935 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.18663 169.7
[M+Na]+ 309.16857 176.5
[M-H]- 285.17207 173.8
[M+NH4]+ 304.21317 183.6
[M+K]+ 325.14251 173.6
[M+H-H2O]+ 269.17661 159.5
[M+HCOO]- 331.17755 191.2
[M+CH3COO]- 345.19320 207.9
[M+Na-2H]- 307.15402 171.3
[M]+ 286.17880 173.2
[M]- 286.17990 173.2
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.