CID 667613

6-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C10H11N5O
SMILES
COC1=CC=CC=C1C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C10H11N5O/c1-16-7-5-3-2-4-6(7)8-13-9(11)15-10(12)14-8/h2-5H,1H3,(H4,11,12,13,14,15)
InChIKey
GKMGVJQSEMDNAT-UHFFFAOYSA-N
Compound name
6-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

217.09636 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10364 148.2
[M+Na]+ 240.08558 157.8
[M-H]- 216.08908 151.0
[M+NH4]+ 235.13018 161.9
[M+K]+ 256.05952 153.7
[M+H-H2O]+ 200.09362 138.9
[M+HCOO]- 262.09456 171.0
[M+CH3COO]- 276.11021 192.5
[M+Na-2H]- 238.07103 155.3
[M]+ 217.09581 146.7
[M]- 217.09691 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe