CID 7176092

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

Structural Information

Molecular Formula
C10H10N4O
SMILES
COC1=CC=C(C=C1)C2=CN=NC(=N2)N
InChI
InChI=1S/C10H10N4O/c1-15-8-4-2-7(3-5-8)9-6-12-14-10(11)13-9/h2-6H,1H3,(H2,11,13,14)
InChIKey
KSKVNIXIUYNIBP-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

202.08546 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09274 143.6
[M+Na]+ 225.07468 153.1
[M-H]- 201.07818 146.4
[M+NH4]+ 220.11928 158.1
[M+K]+ 241.04862 149.3
[M+H-H2O]+ 185.08272 134.2
[M+HCOO]- 247.08366 165.9
[M+CH3COO]- 261.09931 156.1
[M+Na-2H]- 223.06013 152.0
[M]+ 202.08491 143.3
[M]- 202.08601 143.3
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

patents stripe