CID 44418307

914458-20-1

Structural Information

Molecular Formula
C27H27NO
SMILES
CCCCCCN1C=C(C=C1C2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H27NO/c1-2-3-4-10-18-28-20-23(19-26(28)22-13-6-5-7-14-22)27(29)25-17-11-15-21-12-8-9-16-24(21)25/h5-9,11-17,19-20H,2-4,10,18H2,1H3
InChIKey
FRMYAMAGHYHNKF-UHFFFAOYSA-N
Compound name
(1-hexyl-5-phenylpyrrol-3-yl)-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

381.20926 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21654 197.7
[M+Na]+ 404.19848 204.6
[M-H]- 380.20198 206.6
[M+NH4]+ 399.24308 210.3
[M+K]+ 420.17242 196.7
[M+H-H2O]+ 364.20652 187.0
[M+HCOO]- 426.20746 218.6
[M+CH3COO]- 440.22311 207.3
[M+Na-2H]- 402.18393 198.4
[M]+ 381.20871 200.8
[M]- 381.20981 200.8
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