CID 342623

Nsc379870

Structural Information

Molecular Formula
C14H16N4O
SMILES
CC1=NN(N=C1C(=O)NCC2CC2)C3=CC=CC=C3
InChI
InChI=1S/C14H16N4O/c1-10-13(14(19)15-9-11-7-8-11)17-18(16-10)12-5-3-2-4-6-12/h2-6,11H,7-9H2,1H3,(H,15,19)
InChIKey
SHLFVVFWTWIDEP-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)-5-methyl-2-phenyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

256.13242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.139696 163.6
[M+Na]+ 279.121638 173.0
[M-H]- 255.125144 170.2
[M+NH4]+ 274.166243 173.2
[M+K]+ 295.095578 167.4
[M+H-H2O]+ 239.129680 154.0
[M+HCOO]- 301.130621 185.8
[M+CH3COO]- 315.146271 174.6
[M+Na-2H]- 277.107086 166.7
[M]+ 256.13187142 165.9
[M]- 256.13296858 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.