CID 456935

1-methyl-4-[(2-methyl-1,5-diphenyl-pyrrol-3-yl)methyl]piperazine

Structural Information

Molecular Formula
C23H27N3
SMILES
CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=CC=C3)CN4CCN(CC4)C
InChI
InChI=1S/C23H27N3/c1-19-21(18-25-15-13-24(2)14-16-25)17-23(20-9-5-3-6-10-20)26(19)22-11-7-4-8-12-22/h3-12,17H,13-16,18H2,1-2H3
InChIKey
JAWSMRIGOZPVTN-UHFFFAOYSA-N
Compound name
1-methyl-4-[(2-methyl-1,5-diphenylpyrrol-3-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

345.2205 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.22778 187.6
[M+Na]+ 368.20972 193.3
[M-H]- 344.21322 195.5
[M+NH4]+ 363.25432 197.8
[M+K]+ 384.18366 185.9
[M+H-H2O]+ 328.21776 175.1
[M+HCOO]- 390.21870 203.7
[M+CH3COO]- 404.23435 196.3
[M+Na-2H]- 366.19517 186.3
[M]+ 345.21995 183.8
[M]- 345.22105 183.8
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.