CID 43134564

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.1062 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.113476 145.7
[M+Na]+ 223.095418 155.8
[M-H]- 199.098924 148.7
[M+NH4]+ 218.140023 160.7
[M+K]+ 239.069358 151.3
[M+H-H2O]+ 183.103460 136.6
[M+HCOO]- 245.104401 167.4
[M+CH3COO]- 259.120051 158.2
[M+Na-2H]- 221.080866 152.7
[M]+ 200.10565142 144.7
[M]- 200.10674858 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

No patent data available for this compound.