CID 57503791

134959-64-1

Structural Information

Molecular Formula
C26H26N2O
SMILES
CN1CCCC[C@@H]1CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3/t20-/m1/s1
InChIKey
URKVBEKZCMUTQC-HXUWFJFHSA-N
Compound name
[1-[[(2R)-1-methylpiperidin-2-yl]methyl]indol-3-yl]-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2045 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.21178 195.8
[M+Na]+ 405.19372 202.1
[M-H]- 381.19722 203.8
[M+NH4]+ 400.23832 207.6
[M+K]+ 421.16766 194.1
[M+H-H2O]+ 365.20176 184.1
[M+HCOO]- 427.20270 211.0
[M+CH3COO]- 441.21835 204.3
[M+Na-2H]- 403.17917 196.0
[M]+ 382.20395 193.8
[M]- 382.20505 193.8
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

No patent data available for this compound.