CID 506582

5-(4-chlorophenyl)-6-methyl-1,2,4-triazin-3-amine

Structural Information

Molecular Formula
C10H9ClN4
SMILES
CC1=C(N=C(N=N1)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H9ClN4/c1-6-9(13-10(12)15-14-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13,15)
InChIKey
UMOGVWOUZIXQHY-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-6-methyl-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.05157 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05885 146.7
[M+Na]+ 243.04079 157.9
[M-H]- 219.04429 149.5
[M+NH4]+ 238.08539 161.7
[M+K]+ 259.01473 152.0
[M+H-H2O]+ 203.04883 138.1
[M+HCOO]- 265.04977 164.0
[M+CH3COO]- 279.06542 159.2
[M+Na-2H]- 241.02624 153.7
[M]+ 220.05102 147.3
[M]- 220.05212 147.3
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.