CID 215672

36063-65-7

Structural Information

Molecular Formula
C26H29N3O
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C4CCCCCC4=NC5=CC=CC=C53
InChI
InChI=1S/C26H29N3O/c1-19-11-13-20(14-12-19)28-15-17-29(18-16-28)26(30)25-21-7-3-2-4-9-23(21)27-24-10-6-5-8-22(24)25/h5-6,8,10-14H,2-4,7,9,15-18H2,1H3
InChIKey
PHWXMNNLZXOINJ-UHFFFAOYSA-N
Compound name
[4-(4-methylphenyl)piperazin-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

399.23105 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.23833 202.1
[M+Na]+ 422.22027 205.6
[M-H]- 398.22377 208.5
[M+NH4]+ 417.26487 209.5
[M+K]+ 438.19421 201.8
[M+H-H2O]+ 382.22831 189.7
[M+HCOO]- 444.22925 211.0
[M+CH3COO]- 458.24490 207.9
[M+Na-2H]- 420.20572 202.3
[M]+ 399.23050 193.0
[M]- 399.23160 193.0
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.