CID 3072700

1-(3-(2-(3,4-dimethoxyphenyl)ethylamino)-2-hydroxypropyl)-4-diphenylmethylpiperazine

Structural Information

Molecular Formula
C30H39N3O3
SMILES
COC1=C(C=C(C=C1)CCNCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)OC
InChI
InChI=1S/C30H39N3O3/c1-35-28-14-13-24(21-29(28)36-2)15-16-31-22-27(34)23-32-17-19-33(20-18-32)30(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-14,21,27,30-31,34H,15-20,22-23H2,1-2H3
InChIKey
CWVCIFRVJSRPKI-UHFFFAOYSA-N
Compound name
1-(4-benzhydrylpiperazin-1-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

489.29913 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.30641 226.3
[M+Na]+ 512.28835 238.6
[M+NH4]+ 507.33295 231.8
[M+K]+ 528.26229 229.9
[M-H]- 488.29185 233.3
[M+Na-2H]- 510.27380 234.7
[M]+ 489.29858 229.9
[M]- 489.29968 229.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe