CID 3021795

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

Structural Information

Molecular Formula
C21H20ClN
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)Cl)C3=CC4=C(CCCC4)C=C3
InChI
InChI=1S/C21H20ClN/c1-15-6-13-21(23(15)20-11-9-19(22)10-12-20)18-8-7-16-4-2-3-5-17(16)14-18/h6-14H,2-5H2,1H3
InChIKey
TYLJKUSPKMFAAU-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.12842 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13570 178.4
[M+Na]+ 344.11764 187.2
[M-H]- 320.12114 187.2
[M+NH4]+ 339.16224 194.9
[M+K]+ 360.09158 178.9
[M+H-H2O]+ 304.12568 169.3
[M+HCOO]- 366.12662 193.3
[M+CH3COO]- 380.14227 189.4
[M+Na-2H]- 342.10309 179.3
[M]+ 321.12787 178.1
[M]- 321.12897 178.1
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.