CID 71312558

1198090-73-1

Structural Information

Molecular Formula
C36H43N3O7
SMILES
COC1=CC=CC=C1OCCNCC(CN2C3=C(C4=CC=CC=C42)C(=CC=C3)OCC(CNCCOC5=CC=CC=C5OC)O)O
InChI
InChI=1S/C36H43N3O7/c1-42-31-13-5-7-15-33(31)44-20-18-37-22-26(40)24-39-29-11-4-3-10-28(29)36-30(39)12-9-17-35(36)46-25-27(41)23-38-19-21-45-34-16-8-6-14-32(34)43-2/h3-17,26-27,37-38,40-41H,18-25H2,1-2H3
InChIKey
BUCQRVKKTLMWQH-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]carbazol-9-yl]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

629.3101 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.31738 246.8
[M+Na]+ 652.29932 246.3
[M-H]- 628.30282 252.9
[M+NH4]+ 647.34392 247.1
[M+K]+ 668.27326 243.0
[M+H-H2O]+ 612.30736 233.9
[M+HCOO]- 674.30830 262.4
[M+CH3COO]- 688.32395 267.4
[M+Na-2H]- 650.28477 246.7
[M]+ 629.30955 255.4
[M]- 629.31065 255.4
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.