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

29
Patents

200.1062 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11348 145.0
[M+Na]+ 223.09542 154.2
[M-H]- 199.09892 147.6
[M+NH4]+ 218.14002 159.8
[M+K]+ 239.06936 149.7
[M+H-H2O]+ 183.10346 135.7
[M+HCOO]- 245.10440 166.8
[M+CH3COO]- 259.12005 157.2
[M+Na-2H]- 221.08087 152.9
[M]+ 200.10565 143.7
[M]- 200.10675 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