CID 25271557

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

Structural Information

Molecular Formula
C11H13N5O2
SMILES
C1=CC=C(C=C1)OCCOC2=NC(=NC(=N2)N)N
InChI
InChI=1S/C11H13N5O2/c12-9-14-10(13)16-11(15-9)18-7-6-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,12,13,14,15,16)
InChIKey
LRQXUZUFSOQMGU-UHFFFAOYSA-N
Compound name
6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

247.10692 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.114196 153.8
[M+Na]+ 270.096138 161.8
[M-H]- 246.099644 156.0
[M+NH4]+ 265.140743 165.8
[M+K]+ 286.070078 158.0
[M+H-H2O]+ 230.104180 143.7
[M+HCOO]- 292.105121 176.4
[M+CH3COO]- 306.120771 196.5
[M+Na-2H]- 268.081586 161.3
[M]+ 247.10637142 153.5
[M]- 247.10746858 153.5
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