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]+ 364.25948 191.7
[M+Na]+ 386.24142 194.1
[M-H]- 362.24492 191.6
[M+NH4]+ 381.28602 203.6
[M+K]+ 402.21536 191.3
[M+H-H2O]+ 346.24946 183.6
[M+HCOO]- 408.25040 208.9
[M+CH3COO]- 422.26605 221.2
[M+Na-2H]- 384.22687 189.8
[M]+ 363.25165 194.3
[M]- 363.25275 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.