CID 4572774

4-[2-[[3-(9h-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenol

Structural Information

Molecular Formula
C24H26N2O5
SMILES
COC1=C(C=CC(=C1)O)OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
InChI
InChI=1S/C24H26N2O5/c1-29-23-13-16(27)9-10-21(23)30-12-11-25-14-17(28)15-31-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,17,25-28H,11-12,14-15H2,1H3
InChIKey
ZCJHEORDHXCJNB-UHFFFAOYSA-N
Compound name
4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

19
Patents

422.18417 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19145 197.5
[M+Na]+ 445.17339 202.9
[M-H]- 421.17689 200.8
[M+NH4]+ 440.21799 207.3
[M+K]+ 461.14733 197.5
[M+H-H2O]+ 405.18143 188.3
[M+HCOO]- 467.18237 214.9
[M+CH3COO]- 481.19802 223.7
[M+Na-2H]- 443.15884 200.6
[M]+ 422.18362 202.0
[M]- 422.18472 202.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe