CID 71316931

Uu64j0tpa9

Structural Information

Molecular Formula
C37H46N4O6
SMILES
CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)NC3=C(C=CC(=C3)C(CNC(C)CC4=CC=C(C=C4)OC)O)O
InChI
InChI=1S/C37H46N4O6/c1-24(17-26-5-11-30(46-3)12-6-26)38-21-34(28-9-15-35(43)32(19-28)40-23-42)41-33-20-29(10-16-36(33)44)37(45)22-39-25(2)18-27-7-13-31(47-4)14-8-27/h5-16,19-20,23-25,34,37-39,41,43-45H,17-18,21-22H2,1-4H3,(H,40,42)
InChIKey
XWHIFWOMBHPOAH-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-[1-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]anilino]-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

642.34174 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.34902 254.3
[M+Na]+ 665.33096 250.6
[M-H]- 641.33446 261.1
[M+NH4]+ 660.37556 250.4
[M+K]+ 681.30490 248.2
[M+H-H2O]+ 625.33900 240.9
[M+HCOO]- 687.33994 269.4
[M+CH3COO]- 701.35559 278.8
[M+Na-2H]- 663.31641 249.3
[M]+ 642.34119 255.1
[M]- 642.34229 255.1
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.