CID 71336

Lifarizine

Structural Information

Molecular Formula
C29H32N4
SMILES
CC1=CC=C(C=C1)C2=NC(=C(N2)C)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H32N4/c1-22-13-15-26(16-14-22)29-30-23(2)27(31-29)21-32-17-19-33(20-18-32)28(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,28H,17-21H2,1-2H3,(H,30,31)
InChIKey
HTDFEXRUDGWNHA-UHFFFAOYSA-N
Compound name
1-benzhydryl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

1777
Patents

436.2627 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.26998 210.6
[M+Na]+ 459.25192 213.8
[M-H]- 435.25542 218.2
[M+NH4]+ 454.29652 213.9
[M+K]+ 475.22586 204.0
[M+H-H2O]+ 419.25996 195.9
[M+HCOO]- 481.26090 221.7
[M+CH3COO]- 495.27655 215.8
[M+Na-2H]- 457.23737 207.0
[M]+ 436.26215 204.0
[M]- 436.26325 204.0
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