CID 118796466

Naphthalen-1-yl(9-pentyl-9h-carbazol-3-yl)methanone

Structural Information

Molecular Formula
C28H25NO
SMILES
CCCCCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C51
InChI
InChI=1S/C28H25NO/c1-2-3-8-18-29-26-15-7-6-13-23(26)25-19-21(16-17-27(25)29)28(30)24-14-9-11-20-10-4-5-12-22(20)24/h4-7,9-17,19H,2-3,8,18H2,1H3
InChIKey
FJMMDJDPNLZYLA-UHFFFAOYSA-N
Compound name
naphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

3
Patents

391.1936 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20088 200.1
[M+Na]+ 414.18282 209.4
[M-H]- 390.18632 208.2
[M+NH4]+ 409.22742 214.5
[M+K]+ 430.15676 200.5
[M+H-H2O]+ 374.19086 189.5
[M+HCOO]- 436.19180 219.8
[M+CH3COO]- 450.20745 210.0
[M+Na-2H]- 412.16827 203.5
[M]+ 391.19305 205.0
[M]- 391.19415 205.0
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