CID 44129623

(r)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol

Structural Information

Molecular Formula
C18H22N2O2
SMILES
C1CCN(C1)CCOC2=CC=C(C=C2)[C@H](C3=CC=NC=C3)O
InChI
InChI=1S/C18H22N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10,18,21H,1-2,11-14H2/t18-/m1/s1
InChIKey
QQRJWLDQBNAQCC-GOSISDBHSA-N
Compound name
(R)-pyridin-4-yl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

298.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.175396 170.8
[M+Na]+ 321.157338 174.7
[M-H]- 297.160844 175.5
[M+NH4]+ 316.201943 183.3
[M+K]+ 337.131278 170.2
[M+H-H2O]+ 281.165380 160.6
[M+HCOO]- 343.166321 188.3
[M+CH3COO]- 357.181971 180.1
[M+Na-2H]- 319.142786 172.0
[M]+ 298.16757142 168.2
[M]- 298.16866858 168.2
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

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