CID 3011540

5-[2-(4-benzyloxyphenyl)ethoxy]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C19H20N4O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)CCOC3=CN=C(N=C3N)N
InChI
InChI=1S/C19H20N4O2/c20-18-17(12-22-19(21)23-18)24-11-10-14-6-8-16(9-7-14)25-13-15-4-2-1-3-5-15/h1-9,12H,10-11,13H2,(H4,20,21,22,23)
InChIKey
GABRHTUSAPVHIJ-UHFFFAOYSA-N
Compound name
5-[2-(4-phenylmethoxyphenyl)ethoxy]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.15863 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 179.7
[M+Na]+ 359.14785 186.2
[M-H]- 335.15135 185.8
[M+NH4]+ 354.19245 189.0
[M+K]+ 375.12179 180.4
[M+H-H2O]+ 319.15589 168.2
[M+HCOO]- 381.15683 202.1
[M+CH3COO]- 395.17248 189.2
[M+Na-2H]- 357.13330 184.7
[M]+ 336.15808 179.4
[M]- 336.15918 179.4
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.