CID 43134513

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

Structural Information

Molecular Formula
C11H12N4
SMILES
CC1=CC(=C(C=C1)C)C2=CN=NC(=N2)N
InChI
InChI=1S/C11H12N4/c1-7-3-4-8(2)9(5-7)10-6-13-15-11(12)14-10/h3-6H,1-2H3,(H2,12,14,15)
InChIKey
KWYRHLSNZNSWBJ-UHFFFAOYSA-N
Compound name
5-(2,5-dimethylphenyl)-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.1062 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11348 145.7
[M+Na]+ 223.09542 155.8
[M-H]- 199.09892 148.7
[M+NH4]+ 218.14002 160.7
[M+K]+ 239.06936 151.3
[M+H-H2O]+ 183.10346 136.6
[M+HCOO]- 245.10440 167.4
[M+CH3COO]- 259.12005 158.2
[M+Na-2H]- 221.08087 152.7
[M]+ 200.10565 144.7
[M]- 200.10675 144.7
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