CID 11971043

Brn 4599367

Structural Information

Molecular Formula
C29H33N3O3
SMILES
CC1=C(NC2=CC=CC=C12)C3=CC=C(C=C3)OCC(CN4CCN(CC4)C5=CC=C(C=C5)OC)O
InChI
InChI=1S/C29H33N3O3/c1-21-27-5-3-4-6-28(27)30-29(21)22-7-11-26(12-8-22)35-20-24(33)19-31-15-17-32(18-16-31)23-9-13-25(34-2)14-10-23/h3-14,24,30,33H,15-20H2,1-2H3
InChIKey
WRRLCVHAODAPBV-UHFFFAOYSA-N
Compound name
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(3-methyl-1H-indol-2-yl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.2522 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.25948 216.7
[M+Na]+ 494.24142 220.6
[M-H]- 470.24492 223.0
[M+NH4]+ 489.28602 220.8
[M+K]+ 510.21536 212.8
[M+H-H2O]+ 454.24946 203.7
[M+HCOO]- 516.25040 228.1
[M+CH3COO]- 530.26605 222.1
[M+Na-2H]- 492.22687 214.1
[M]+ 471.25165 215.2
[M]- 471.25275 215.2
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

No patent data available for this compound.