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

27
Patents

202.08546 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.092736 143.6
[M+Na]+ 225.074678 153.1
[M-H]- 201.078184 146.4
[M+NH4]+ 220.119283 158.1
[M+K]+ 241.048618 149.3
[M+H-H2O]+ 185.082720 134.2
[M+HCOO]- 247.083661 165.9
[M+CH3COO]- 261.099311 156.1
[M+Na-2H]- 223.060126 152.0
[M]+ 202.08491142 143.3
[M]- 202.08600858 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