CID 71711120

Bb-22

Structural Information

Molecular Formula
C25H24N2O2
SMILES
C1CCC(CC1)CN2C=C(C3=CC=CC=C32)C(=O)OC4=CC=CC5=C4N=CC=C5
InChI
InChI=1S/C25H24N2O2/c28-25(29-23-14-6-10-19-11-7-15-26-24(19)23)21-17-27(16-18-8-2-1-3-9-18)22-13-5-4-12-20(21)22/h4-7,10-15,17-18H,1-3,8-9,16H2
InChIKey
RHYGTJXOHOGQGI-UHFFFAOYSA-N
Compound name
quinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9
Patents

384.18378 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19106 194.5
[M+Na]+ 407.17300 210.6
[M+NH4]+ 402.21760 203.4
[M+K]+ 423.14694 202.3
[M-H]- 383.17650 201.2
[M+Na-2H]- 405.15845 203.3
[M]+ 384.18323 198.9
[M]- 384.18433 198.9
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