CID 9843179

Dr-4004

Structural Information

Molecular Formula
C26H30N2O
SMILES
C1CC2=C3C(=CC=C2)NC(=O)C3(C1)CCCCN4CCC(=CC4)C5=CC=CC=C5
InChI
InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
InChIKey
JBQOYPLKTTXLSQ-UHFFFAOYSA-N
Compound name
2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

5
Patents

386.2358 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.24308 197.9
[M+Na]+ 409.22502 201.3
[M-H]- 385.22852 202.5
[M+NH4]+ 404.26962 210.8
[M+K]+ 425.19896 192.7
[M+H-H2O]+ 369.23306 185.7
[M+HCOO]- 431.23400 208.5
[M+CH3COO]- 445.24965 204.4
[M+Na-2H]- 407.21047 197.9
[M]+ 386.23525 192.2
[M]- 386.23635 192.2
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