CID 115987

Skf-183a

Structural Information

Molecular Formula
C14H19N5O
SMILES
CCN(CC)C(=O)C1=C(N(N=N1)C2=CC=C(C=C2)N)C
InChI
InChI=1S/C14H19N5O/c1-4-18(5-2)14(20)13-10(3)19(17-16-13)12-8-6-11(15)7-9-12/h6-9H,4-5,15H2,1-3H3
InChIKey
UCEXBDVMIFXJHJ-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-N,N-diethyl-5-methyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15897 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16625 164.3
[M+Na]+ 296.14819 175.1
[M+NH4]+ 291.19279 170.1
[M+K]+ 312.12213 172.1
[M-H]- 272.15169 166.7
[M+Na-2H]- 294.13364 170.3
[M]+ 273.15842 166.2
[M]- 273.15952 166.2
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.