CID 463129

5-[(4-phenethyloxyphenyl)methyl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C19H20N4O
SMILES
C1=CC=C(C=C1)CCOC2=CC=C(C=C2)CC3=CN=C(N=C3N)N
InChI
InChI=1S/C19H20N4O/c20-18-16(13-22-19(21)23-18)12-15-6-8-17(9-7-15)24-11-10-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H4,20,21,22,23)
InChIKey
XJIMVUAPNLKIJM-UHFFFAOYSA-N
Compound name
5-[[4-(2-phenylethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.1637 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 177.0
[M+Na]+ 343.15292 183.8
[M-H]- 319.15642 183.1
[M+NH4]+ 338.19752 187.1
[M+K]+ 359.12686 177.2
[M+H-H2O]+ 303.16096 165.8
[M+HCOO]- 365.16190 199.3
[M+CH3COO]- 379.17755 186.7
[M+Na-2H]- 341.13837 182.0
[M]+ 320.16315 175.4
[M]- 320.16425 175.4
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

No patent data available for this compound.