CID 24842062

Brn 4570263

Structural Information

Molecular Formula
C24H31N3O3
SMILES
CC1=C(NC2=CC=CC=C12)C3=CC=C(C=C3)OCC(CN4CCN(CC4)CCO)O
InChI
InChI=1S/C24H31N3O3/c1-18-22-4-2-3-5-23(22)25-24(18)19-6-8-21(9-7-19)30-17-20(29)16-27-12-10-26(11-13-27)14-15-28/h2-9,20,25,28-29H,10-17H2,1H3
InChIKey
SYVQCNSQFAVLHN-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxyethyl)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

409.23654 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.24382 200.5
[M+Na]+ 432.22576 204.5
[M-H]- 408.22926 202.6
[M+NH4]+ 427.27036 207.2
[M+K]+ 448.19970 197.2
[M+H-H2O]+ 392.23380 189.6
[M+HCOO]- 454.23474 211.3
[M+CH3COO]- 468.25039 206.5
[M+Na-2H]- 430.21121 198.8
[M]+ 409.23599 198.2
[M]- 409.23709 198.2
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.