CID 109327

68391-52-6

Structural Information

Molecular Formula
C33H46N2O4
SMILES
CC(C)(C1=CC=C(C=C1)OCC(CN(CC=C)CC=C)O)C2=CC=C(C=C2)OCC(CN(CC=C)CC=C)O
InChI
InChI=1S/C33H46N2O4/c1-7-19-34(20-8-2)23-29(36)25-38-31-15-11-27(12-16-31)33(5,6)28-13-17-32(18-14-28)39-26-30(37)24-35(21-9-3)22-10-4/h7-18,29-30,36-37H,1-4,19-26H2,5-6H3
InChIKey
QXYMVIAZTSDOLA-UHFFFAOYSA-N
Compound name
1-[bis(prop-2-enyl)amino]-3-[4-[2-[4-[3-[bis(prop-2-enyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

534.34576 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.35304 237.9
[M+Na]+ 557.33498 244.3
[M+NH4]+ 552.37958 239.9
[M+K]+ 573.30892 237.9
[M-H]- 533.33848 239.2
[M+Na-2H]- 555.32043 240.1
[M]+ 534.34521 238.7
[M]- 534.34631 238.7
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