CID 3058560

75410-85-4

Structural Information

Molecular Formula
C25H28N4
SMILES
C1CN(CCN1CCCCC2=CNC3=CC=CC=C32)C4=NC5=CC=CC=C5C=C4
InChI
InChI=1S/C25H28N4/c1-3-10-23-20(7-1)12-13-25(27-23)29-17-15-28(16-18-29)14-6-5-8-21-19-26-24-11-4-2-9-22(21)24/h1-4,7,9-13,19,26H,5-6,8,14-18H2
InChIKey
UWYPIBFFLPNKGL-UHFFFAOYSA-N
Compound name
2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.23138 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.23866 196.0
[M+Na]+ 407.22060 201.6
[M-H]- 383.22410 199.4
[M+NH4]+ 402.26520 204.2
[M+K]+ 423.19454 191.7
[M+H-H2O]+ 367.22864 182.6
[M+HCOO]- 429.22958 207.9
[M+CH3COO]- 443.24523 202.5
[M+Na-2H]- 405.20605 198.1
[M]+ 384.23083 192.3
[M]- 384.23193 192.3
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.