CID 218364

Brn 0836924

Structural Information

Molecular Formula
C23H25N3
SMILES
CC1=CC2=C(C=C1)N=C3CCCC3=C2N4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C23H25N3/c1-17-10-11-22-20(16-17)23(19-8-5-9-21(19)24-22)26-14-12-25(13-15-26)18-6-3-2-4-7-18/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3
InChIKey
BVMVWVHTEBDOLX-UHFFFAOYSA-N
Compound name
7-methyl-9-(4-phenylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.20483 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.21211 186.4
[M+Na]+ 366.19405 192.4
[M-H]- 342.19755 192.5
[M+NH4]+ 361.23865 198.5
[M+K]+ 382.16799 184.3
[M+H-H2O]+ 326.20209 174.0
[M+HCOO]- 388.20303 199.1
[M+CH3COO]- 402.21868 194.5
[M+Na-2H]- 364.17950 187.0
[M]+ 343.20428 181.0
[M]- 343.20538 181.0
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.