CID 456971

138222-99-8

Structural Information

Molecular Formula
C18H23Cl2N3
SMILES
CC1=CC(=C(N1C2=C(C=C(C=C2)Cl)Cl)C)CN3CCN(CC3)C
InChI
InChI=1S/C18H23Cl2N3/c1-13-10-15(12-22-8-6-21(3)7-9-22)14(2)23(13)18-5-4-16(19)11-17(18)20/h4-5,10-11H,6-9,12H2,1-3H3
InChIKey
IHDBZTOWODYMGD-UHFFFAOYSA-N
Compound name
1-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1269 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.13418 185.5
[M+Na]+ 374.11612 195.0
[M-H]- 350.11962 190.1
[M+NH4]+ 369.16072 198.1
[M+K]+ 390.09006 187.0
[M+H-H2O]+ 334.12416 175.4
[M+HCOO]- 396.12510 192.1
[M+CH3COO]- 410.14075 194.8
[M+Na-2H]- 372.10157 181.8
[M]+ 351.12635 186.6
[M]- 351.12745 186.6
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.