CID 43134557

5-(4-ethylphenyl)-1,2,4-triazin-3-amine

Structural Information

Molecular Formula
C11H12N4
SMILES
CCC1=CC=C(C=C1)C2=CN=NC(=N2)N
InChI
InChI=1S/C11H12N4/c1-2-8-3-5-9(6-4-8)10-7-13-15-11(12)14-10/h3-7H,2H2,1H3,(H2,12,14,15)
InChIKey
LUENLFADXCMHTC-UHFFFAOYSA-N
Compound name
5-(4-ethylphenyl)-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

200.1062 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.113476 145.0
[M+Na]+ 223.095418 154.2
[M-H]- 199.098924 147.6
[M+NH4]+ 218.140023 159.8
[M+K]+ 239.069358 149.7
[M+H-H2O]+ 183.103460 135.7
[M+HCOO]- 245.104401 166.8
[M+CH3COO]- 259.120051 157.2
[M+Na-2H]- 221.080866 152.9
[M]+ 200.10565142 143.7
[M]- 200.10674858 143.7
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

patents stripe