CID 71750351

130115-65-0

Structural Information

Molecular Formula
C25H31N3O4
SMILES
CC(C)N(CC(COC1=CC=CC2=C1C=CN2)O)CC(COC3=CC=CC4=C3C=CN4)O
InChI
InChI=1S/C25H31N3O4/c1-17(2)28(13-18(29)15-31-24-7-3-5-22-20(24)9-11-26-22)14-19(30)16-32-25-8-4-6-23-21(25)10-12-27-23/h3-12,17-19,26-27,29-30H,13-16H2,1-2H3
InChIKey
BLCDDLOHQZZMHH-UHFFFAOYSA-N
Compound name
1-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.23145 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.23873 203.5
[M+Na]+ 460.22067 206.5
[M-H]- 436.22417 205.9
[M+NH4]+ 455.26527 212.7
[M+K]+ 476.19461 202.1
[M+H-H2O]+ 420.22871 194.9
[M+HCOO]- 482.22965 218.5
[M+CH3COO]- 496.24530 226.6
[M+Na-2H]- 458.20612 202.4
[M]+ 437.23090 207.2
[M]- 437.23200 207.2
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.