CID 45271208

209414-06-2

Structural Information

Molecular Formula
C22H19NO
SMILES
CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H19NO/c1-2-14-23-15-20(18-11-5-6-13-21(18)23)22(24)19-12-7-9-16-8-3-4-10-17(16)19/h3-13,15H,2,14H2,1H3
InChIKey
IVLWWVXVWRIXSS-UHFFFAOYSA-N
Compound name
naphthalen-1-yl-(1-propylindol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

313.14667 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.15395 176.1
[M+Na]+ 336.13589 185.4
[M-H]- 312.13939 183.6
[M+NH4]+ 331.18049 193.0
[M+K]+ 352.10983 178.5
[M+H-H2O]+ 296.14393 167.1
[M+HCOO]- 358.14487 197.3
[M+CH3COO]- 372.16052 187.7
[M+Na-2H]- 334.12134 180.3
[M]+ 313.14612 179.1
[M]- 313.14722 179.1
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