CID 71749248

Phenol, 4-[2-[[3-(9h-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxy-, 1-(hydrogen sulfate)

Structural Information

Molecular Formula
C24H26N2O8S
SMILES
COC1=C(C=CC(=C1)OS(=O)(=O)O)OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
InChI
InChI=1S/C24H26N2O8S/c1-31-23-13-17(34-35(28,29)30)9-10-21(23)32-12-11-25-14-16(27)15-33-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,16,25-27H,11-12,14-15H2,1H3,(H,28,29,30)
InChIKey
FMLIWSROQXGZRD-UHFFFAOYSA-N
Compound name
[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

502.141 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.14828 211.2
[M+Na]+ 525.13022 216.1
[M-H]- 501.13372 214.4
[M+NH4]+ 520.17482 217.8
[M+K]+ 541.10416 212.4
[M+H-H2O]+ 485.13826 203.2
[M+HCOO]- 547.13920 223.0
[M+CH3COO]- 561.15485 233.4
[M+Na-2H]- 523.11567 215.9
[M]+ 502.14045 220.5
[M]- 502.14155 220.5
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.