CID 456948

1h-pyrrole-3-methanamine, 5-(4-chlorophenyl)-n,n,2-trimethyl-1-phenyl-

Structural Information

Molecular Formula
C20H21ClN2
SMILES
CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CN(C)C
InChI
InChI=1S/C20H21ClN2/c1-15-17(14-22(2)3)13-20(16-9-11-18(21)12-10-16)23(15)19-7-5-4-6-8-19/h4-13H,14H2,1-3H3
InChIKey
OQAGOFJLPULKEC-UHFFFAOYSA-N
Compound name
1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1393 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14658 179.0
[M+Na]+ 347.12852 188.1
[M-H]- 323.13202 189.1
[M+NH4]+ 342.17312 195.1
[M+K]+ 363.10246 181.6
[M+H-H2O]+ 307.13656 169.9
[M+HCOO]- 369.13750 199.0
[M+CH3COO]- 383.15315 191.0
[M+Na-2H]- 345.11397 179.7
[M]+ 324.13875 183.3
[M]- 324.13985 183.3
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.