CID 463122

5-[[4-(cyclohexylmethoxy)-3-methoxy-phenyl]methyl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C19H26N4O2
SMILES
COC1=C(C=CC(=C1)CC2=CN=C(N=C2N)N)OCC3CCCCC3
InChI
InChI=1S/C19H26N4O2/c1-24-17-10-14(9-15-11-22-19(21)23-18(15)20)7-8-16(17)25-12-13-5-3-2-4-6-13/h7-8,10-11,13H,2-6,9,12H2,1H3,(H4,20,21,22,23)
InChIKey
UYZIEKSLLYFPPX-UHFFFAOYSA-N
Compound name
5-[[4-(cyclohexylmethoxy)-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.20557 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.21285 183.8
[M+Na]+ 365.19479 188.2
[M-H]- 341.19829 189.1
[M+NH4]+ 360.23939 192.9
[M+K]+ 381.16873 183.1
[M+H-H2O]+ 325.20283 172.4
[M+HCOO]- 387.20377 201.9
[M+CH3COO]- 401.21942 217.1
[M+Na-2H]- 363.18024 185.0
[M]+ 342.20502 179.7
[M]- 342.20612 179.7
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.