CID 2730220

N2-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C12H15N5O3
SMILES
COC1=CC(=CC(=C1OC)OC)NC2=NC=NC(=N2)N
InChI
InChI=1S/C12H15N5O3/c1-18-8-4-7(5-9(19-2)10(8)20-3)16-12-15-6-14-11(13)17-12/h4-6H,1-3H3,(H3,13,14,15,16,17)
InChIKey
XUXJDRHHZUDWRS-UHFFFAOYSA-N
Compound name
2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

18
Patents

277.1175 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.124776 162.7
[M+Na]+ 300.106718 171.9
[M-H]- 276.110224 166.0
[M+NH4]+ 295.151323 174.2
[M+K]+ 316.080658 169.0
[M+H-H2O]+ 260.114760 152.6
[M+HCOO]- 322.115701 185.7
[M+CH3COO]- 336.131351 204.7
[M+Na-2H]- 298.092166 169.1
[M]+ 277.11695142 166.0
[M]- 277.11804858 166.0
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