CID 4302960

Gr 103691

Structural Information

Molecular Formula
C30H35N3O3
SMILES
CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
InChIKey
JARNORYOPMINDY-UHFFFAOYSA-N
Compound name
4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

21
Patents

485.26785 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.27513 222.6
[M+Na]+ 508.25707 223.4
[M-H]- 484.26057 230.3
[M+NH4]+ 503.30167 225.2
[M+K]+ 524.23101 217.0
[M+H-H2O]+ 468.26511 208.4
[M+HCOO]- 530.26605 236.5
[M+CH3COO]- 544.28170 243.0
[M+Na-2H]- 506.24252 219.7
[M]+ 485.26730 220.3
[M]- 485.26840 220.3
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