CID 408460

Nsc13480

Structural Information

Molecular Formula
C25H24N2O
SMILES
C1CCNC(C1)C(C2=CC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5)O
InChI
InChI=1S/C25H24N2O/c28-25(22-12-6-7-15-26-22)21-16-23(18-9-2-1-3-10-18)27-24-19-11-5-4-8-17(19)13-14-20(21)24/h1-5,8-11,13-14,16,22,25-26,28H,6-7,12,15H2
InChIKey
QEFWYSWSVVMRHO-UHFFFAOYSA-N
Compound name
(2-phenylbenzo[h]quinolin-4-yl)-piperidin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

21
Patents

368.18887 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19615 188.9
[M+Na]+ 391.17809 193.6
[M-H]- 367.18159 193.5
[M+NH4]+ 386.22269 197.6
[M+K]+ 407.15203 184.7
[M+H-H2O]+ 351.18613 176.9
[M+HCOO]- 413.18707 200.3
[M+CH3COO]- 427.20272 195.8
[M+Na-2H]- 389.16354 193.3
[M]+ 368.18832 182.4
[M]- 368.18942 182.4
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

No patent data available for this compound.