CID 215671

Brn 0846742

Structural Information

Molecular Formula
C25H27N3O
SMILES
C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)N4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C25H27N3O/c29-25(28-17-15-27(16-18-28)19-9-3-1-4-10-19)24-20-11-5-2-6-13-22(20)26-23-14-8-7-12-21(23)24/h1,3-4,7-10,12,14H,2,5-6,11,13,15-18H2
InChIKey
UXEYGMYFAIPXAX-UHFFFAOYSA-N
Compound name
(4-phenylpiperazin-1-yl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.21542 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.22270 197.1
[M+Na]+ 408.20464 200.1
[M-H]- 384.20814 203.2
[M+NH4]+ 403.24924 204.7
[M+K]+ 424.17858 196.4
[M+H-H2O]+ 368.21268 184.7
[M+HCOO]- 430.21362 206.3
[M+CH3COO]- 444.22927 203.0
[M+Na-2H]- 406.19009 198.5
[M]+ 385.21487 187.3
[M]- 385.21597 187.3
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.