CID 11843970

Chembl377879

Structural Information

Molecular Formula
C24H28FN3
SMILES
CC1=CC=CC=C1C2=CC(=C(N2C3=CC=C(C=C3)F)C)CN4CCN(CC4)C
InChI
InChI=1S/C24H28FN3/c1-18-6-4-5-7-23(18)24-16-20(17-27-14-12-26(3)13-15-27)19(2)28(24)22-10-8-21(25)9-11-22/h4-11,16H,12-15,17H2,1-3H3
InChIKey
WICKOTDXIXMCRU-UHFFFAOYSA-N
Compound name
1-[[1-(4-fluorophenyl)-2-methyl-5-(2-methylphenyl)pyrrol-3-yl]methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

377.2267 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.23398 196.3
[M+Na]+ 400.21592 203.5
[M-H]- 376.21942 203.5
[M+NH4]+ 395.26052 205.8
[M+K]+ 416.18986 195.4
[M+H-H2O]+ 360.22396 183.1
[M+HCOO]- 422.22490 211.0
[M+CH3COO]- 436.24055 204.6
[M+Na-2H]- 398.20137 192.3
[M]+ 377.22615 192.7
[M]- 377.22725 192.7
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

No patent data available for this compound.