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

literature stripe

Patent stripe

patents stripe