CID 24838031

91307-03-8

Structural Information

Molecular Formula
C28H24ClNO
SMILES
CC(=O)C1=CC=C(C=C1)N2C(=CC=C2C3=CC4=C(CCCC4)C=C3)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C28H24ClNO/c1-19(31)20-10-14-26(15-11-20)30-27(22-8-12-25(29)13-9-22)16-17-28(30)24-7-6-21-4-2-3-5-23(21)18-24/h6-18H,2-5H2,1H3
InChIKey
FCLQJXIDOCVQSZ-UHFFFAOYSA-N
Compound name
1-[4-[2-(4-chlorophenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrol-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.15463 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.16191 207.3
[M+Na]+ 448.14385 214.5
[M-H]- 424.14735 218.7
[M+NH4]+ 443.18845 218.6
[M+K]+ 464.11779 205.2
[M+H-H2O]+ 408.15189 196.1
[M+HCOO]- 470.15283 220.0
[M+CH3COO]- 484.16848 215.9
[M+Na-2H]- 446.12930 204.5
[M]+ 425.15408 207.1
[M]- 425.15518 207.1
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.