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 222.0
[M+Na]+ 512.28835 220.8
[M-H]- 488.29185 227.8
[M+NH4]+ 507.33295 223.5
[M+K]+ 528.26229 214.8
[M+H-H2O]+ 472.29639 207.9
[M+HCOO]- 534.29733 234.1
[M+CH3COO]- 548.31298 241.4
[M+Na-2H]- 510.27380 219.7
[M]+ 489.29858 219.0
[M]- 489.29968 219.0
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