CID 59438045

1100598-48-8

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CO
InChI
InChI=1S/C18H23N3O2/c1-21-7-5-14(6-8-21)13-23-17-10-19-18(20-11-17)16-4-2-3-15(9-16)12-22/h2-4,9-11,14,22H,5-8,12-13H2,1H3
InChIKey
RKSFCTQWIPYSLR-UHFFFAOYSA-N
Compound name
[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

313.17902 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 177.2
[M+Na]+ 336.16824 182.3
[M-H]- 312.17174 180.4
[M+NH4]+ 331.21284 186.2
[M+K]+ 352.14218 176.9
[M+H-H2O]+ 296.17628 165.6
[M+HCOO]- 358.17722 191.8
[M+CH3COO]- 372.19287 185.5
[M+Na-2H]- 334.15369 179.8
[M]+ 313.17847 174.1
[M]- 313.17957 174.1
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

patents stripe