CID 10471670

208987-48-8

Structural Information

Molecular Formula
C23H21NO
SMILES
CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3
InChIKey
VCHHHSMPMLNVGS-UHFFFAOYSA-N
Compound name
(1-butylindol-3-yl)-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

50
References

536
Patents

327.16232 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16960 180.8
[M+Na]+ 350.15154 189.7
[M-H]- 326.15504 188.1
[M+NH4]+ 345.19614 197.1
[M+K]+ 366.12548 182.5
[M+H-H2O]+ 310.15958 171.6
[M+HCOO]- 372.16052 201.7
[M+CH3COO]- 386.17617 192.0
[M+Na-2H]- 348.13699 184.4
[M]+ 327.16177 184.1
[M]- 327.16287 184.1
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