CID 516675

Chembl174617

Structural Information

Molecular Formula
C18H18N4O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)COC3=CN=C(N=C3N)N
InChI
InChI=1S/C18H18N4O2/c19-17-16(10-21-18(20)22-17)24-12-14-6-8-15(9-7-14)23-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H4,19,20,21,22)
InChIKey
ZASVHVWYIHBJJR-UHFFFAOYSA-N
Compound name
5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.14297 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15025 175.4
[M+Na]+ 345.13219 182.4
[M-H]- 321.13569 181.7
[M+NH4]+ 340.17679 185.3
[M+K]+ 361.10613 176.7
[M+H-H2O]+ 305.14023 164.1
[M+HCOO]- 367.14117 198.2
[M+CH3COO]- 381.15682 185.4
[M+Na-2H]- 343.11764 181.0
[M]+ 322.14242 174.8
[M]- 322.14352 174.8
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

No patent data available for this compound.