CID 45268707

824959-83-3

Structural Information

Molecular Formula
C27H29NO
SMILES
CCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)CC)C
InChI
InChI=1S/C27H29NO/c1-4-6-11-18-28-19(3)26(24-14-9-10-15-25(24)28)27(29)23-17-16-20(5-2)21-12-7-8-13-22(21)23/h7-10,12-17H,4-6,11,18H2,1-3H3
InChIKey
JAVDQKMSPNBPCK-UHFFFAOYSA-N
Compound name
(4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

42
Patents

383.2249 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.232176 199.8
[M+Na]+ 406.214118 208.6
[M-H]- 382.217624 207.1
[M+NH4]+ 401.258723 214.4
[M+K]+ 422.188058 200.6
[M+H-H2O]+ 366.222160 190.2
[M+HCOO]- 428.223101 219.1
[M+CH3COO]- 442.238751 209.8
[M+Na-2H]- 404.199566 199.7
[M]+ 383.22435142 205.1
[M]- 383.22544858 205.1
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