CID 3021797

1h-pyrrole, 2-(4-chlorophenyl)-1-phenyl-5-(5,6,7,8-tetrahydro-2-naphthalenyl)-

Structural Information

Molecular Formula
C26H22ClN
SMILES
C1CCC2=C(C1)C=CC(=C2)C3=CC=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H22ClN/c27-23-14-12-20(13-15-23)25-16-17-26(28(25)24-8-2-1-3-9-24)22-11-10-19-6-4-5-7-21(19)18-22/h1-3,8-18H,4-7H2
InChIKey
KPRAOQBOHMIADF-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.14407 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15135 196.0
[M+Na]+ 406.13329 203.6
[M-H]- 382.13679 207.2
[M+NH4]+ 401.17789 209.0
[M+K]+ 422.10723 193.9
[M+H-H2O]+ 366.14133 184.8
[M+HCOO]- 428.14227 210.1
[M+CH3COO]- 442.15792 205.3
[M+Na-2H]- 404.11874 196.0
[M]+ 383.14352 194.6
[M]- 383.14462 194.6
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.