CID 124518659

1869980-05-1

Structural Information

Molecular Formula
C24H23NO2
SMILES
CCCCN1C=C(C2=C1C=C(C=C2)OC)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H23NO2/c1-3-4-14-25-16-22(20-13-12-18(27-2)15-23(20)25)24(26)21-11-7-9-17-8-5-6-10-19(17)21/h5-13,15-16H,3-4,14H2,1-2H3
InChIKey
YFQNBXNHANIAJR-UHFFFAOYSA-N
Compound name
(1-butyl-6-methoxyindol-3-yl)-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.17288 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.180156 189.0
[M+Na]+ 380.162098 198.0
[M-H]- 356.165604 196.5
[M+NH4]+ 375.206703 204.3
[M+K]+ 396.136038 191.4
[M+H-H2O]+ 340.170140 179.6
[M+HCOO]- 402.171081 209.6
[M+CH3COO]- 416.186731 199.9
[M+Na-2H]- 378.147546 191.4
[M]+ 357.17233142 194.4
[M]- 357.17342858 194.4
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.