CID 11038364

1-{benzyl[2-(2-methoxyphenoxy)ethyl]amino}-3-(9h-carbazol-4-yloxy)propan-2-ol

Structural Information

Molecular Formula
C31H32N2O4
SMILES
COC1=CC=CC=C1OCCN(CC2=CC=CC=C2)CC(COC3=CC=CC4=C3C5=CC=CC=C5N4)O
InChI
InChI=1S/C31H32N2O4/c1-35-28-15-7-8-16-29(28)36-19-18-33(20-23-10-3-2-4-11-23)21-24(34)22-37-30-17-9-14-27-31(30)25-12-5-6-13-26(25)32-27/h2-17,24,32,34H,18-22H2,1H3
InChIKey
FFZGDNBZNMTOCK-UHFFFAOYSA-N
Compound name
1-[benzyl-[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

496.2362 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.24348 220.1
[M+Na]+ 519.22542 223.1
[M-H]- 495.22892 227.9
[M+NH4]+ 514.27002 226.9
[M+K]+ 535.19936 217.3
[M+H-H2O]+ 479.23346 208.2
[M+HCOO]- 541.23440 237.7
[M+CH3COO]- 555.25005 226.4
[M+Na-2H]- 517.21087 221.7
[M]+ 496.23565 224.7
[M]- 496.23675 224.7
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

patents stripe