CID 456947

1-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl}dimethylamine hydrochloride

Structural Information

Molecular Formula
C20H19Cl3N2
SMILES
CC1=C(C=C(N1C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl)CN(C)C
InChI
InChI=1S/C20H19Cl3N2/c1-13-15(12-24(2)3)10-20(14-4-6-16(21)7-5-14)25(13)19-9-8-17(22)11-18(19)23/h4-11H,12H2,1-3H3
InChIKey
FXHQMIGSRJPFLD-UHFFFAOYSA-N
Compound name
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.06137 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.06865 193.2
[M+Na]+ 415.05059 204.1
[M-H]- 391.05409 201.3
[M+NH4]+ 410.09519 207.4
[M+K]+ 431.02453 196.0
[M+H-H2O]+ 375.05863 184.9
[M+HCOO]- 437.05957 202.1
[M+CH3COO]- 451.07522 203.5
[M+Na-2H]- 413.03604 190.3
[M]+ 392.06082 199.7
[M]- 392.06192 199.7
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.