CID 15723

Azacyclonol

Structural Information

Molecular Formula
C18H21NO
SMILES
C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2
InChIKey
ZMISODWVFHHWNR-UHFFFAOYSA-N
Compound name
diphenyl(piperidin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

115
References

1365
Patents

267.16232 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 163.5
[M+Na]+ 290.15154 166.1
[M-H]- 266.15504 167.5
[M+NH4]+ 285.19614 175.9
[M+K]+ 306.12548 160.1
[M+H-H2O]+ 250.15958 154.7
[M+HCOO]- 312.16052 177.8
[M+CH3COO]- 326.17617 172.2
[M+Na-2H]- 288.13699 168.8
[M]+ 267.16177 154.7
[M]- 267.16287 154.7
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

patents stripe