CID 551785

130115-63-8

Structural Information

Molecular Formula
C20H33N3O3
SMILES
CC(C)NCC(CN1C=CC2=C1C=CC=C2OCC(CNC(C)C)O)O
InChI
InChI=1S/C20H33N3O3/c1-14(2)21-10-16(24)12-23-9-8-18-19(23)6-5-7-20(18)26-13-17(25)11-22-15(3)4/h5-9,14-17,21-22,24-25H,10-13H2,1-4H3
InChIKey
FMWDTBSIDVGRKS-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]indol-1-yl]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.2522 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.259476 191.7
[M+Na]+ 386.241418 194.1
[M-H]- 362.244924 191.6
[M+NH4]+ 381.286023 203.6
[M+K]+ 402.215358 191.3
[M+H-H2O]+ 346.249460 183.6
[M+HCOO]- 408.250401 208.9
[M+CH3COO]- 422.266051 221.2
[M+Na-2H]- 384.226866 189.8
[M]+ 363.25165142 194.3
[M]- 363.25274858 194.3
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.