CID 456926

Bm-212

Structural Information

Molecular Formula
C23H25Cl2N3
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C
InChI
InChI=1S/C23H25Cl2N3/c1-17-19(16-27-13-11-26(2)12-14-27)15-23(18-3-5-20(24)6-4-18)28(17)22-9-7-21(25)8-10-22/h3-10,15H,11-14,16H2,1-2H3
InChIKey
YWZIODCWLMCMMW-UHFFFAOYSA-N
Compound name
1-[[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

27
Patents

413.14255 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.14983 202.6
[M+Na]+ 436.13177 211.1
[M-H]- 412.13527 209.7
[M+NH4]+ 431.17637 211.9
[M+K]+ 452.10571 201.6
[M+H-H2O]+ 396.13981 190.2
[M+HCOO]- 458.14075 208.6
[M+CH3COO]- 472.15640 210.4
[M+Na-2H]- 434.11722 198.2
[M]+ 413.14200 203.1
[M]- 413.14310 203.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe