CID 115988

63979-27-1

Structural Information

Molecular Formula
C14H18N4O
SMILES
CCN(CC)C(=O)C1=C(N(N=N1)C2=CC=CC=C2)C
InChI
InChI=1S/C14H18N4O/c1-4-17(5-2)14(19)13-11(3)18(16-15-13)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3
InChIKey
PBPCBTOCQIYTPL-UHFFFAOYSA-N
Compound name
N,N-diethyl-5-methyl-1-phenyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.14807 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15535 160.6
[M+Na]+ 281.13729 168.3
[M-H]- 257.14079 165.1
[M+NH4]+ 276.18189 175.6
[M+K]+ 297.11123 165.9
[M+H-H2O]+ 241.14533 150.8
[M+HCOO]- 303.14627 182.8
[M+CH3COO]- 317.16192 202.0
[M+Na-2H]- 279.12274 163.3
[M]+ 258.14752 163.4
[M]- 258.14862 163.4
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.