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]+ 438.238726 203.5
[M+Na]+ 460.220668 206.5
[M-H]- 436.224174 205.9
[M+NH4]+ 455.265273 212.7
[M+K]+ 476.194608 202.1
[M+H-H2O]+ 420.228710 194.9
[M+HCOO]- 482.229651 218.5
[M+CH3COO]- 496.245301 226.6
[M+Na-2H]- 458.206116 202.4
[M]+ 437.23090142 207.2
[M]- 437.23199858 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.