CID 65363369

[2-(4-fluorophenyl)-1-(4h-1,2,4-triazol-3-yl)ethyl](methyl)amine

Structural Information

Molecular Formula
C11H13FN4
SMILES
CNC(CC1=CC=C(C=C1)F)C2=NC=NN2
InChI
InChI=1S/C11H13FN4/c1-13-10(11-14-7-15-16-11)6-8-2-4-9(12)5-3-8/h2-5,7,10,13H,6H2,1H3,(H,14,15,16)
InChIKey
DPQAIBKSNKKGAZ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.11243 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11971 147.1
[M+Na]+ 243.10165 154.3
[M-H]- 219.10515 147.3
[M+NH4]+ 238.14625 161.9
[M+K]+ 259.07559 149.9
[M+H-H2O]+ 203.10969 137.0
[M+HCOO]- 265.11063 166.8
[M+CH3COO]- 279.12628 188.0
[M+Na-2H]- 241.08710 151.8
[M]+ 220.11188 143.6
[M]- 220.11298 143.6
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.