CID 3066717

111038-42-7

Structural Information

Molecular Formula
C30H35NO4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)C2=C(C(OC3=C2C=CC(=C3)OC)(C)C)C4=CC=CC=C4)O
InChI
InChI=1S/C30H35NO4/c1-20(2)31-18-23(32)19-34-24-13-11-21(12-14-24)28-26-16-15-25(33-5)17-27(26)35-30(3,4)29(28)22-9-7-6-8-10-22/h6-17,20,23,31-32H,18-19H2,1-5H3
InChIKey
WVDUMAJZPBMODC-UHFFFAOYSA-N
Compound name
1-[4-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.25662 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.26390 221.7
[M+Na]+ 496.24584 225.9
[M-H]- 472.24934 230.7
[M+NH4]+ 491.29044 229.7
[M+K]+ 512.21978 222.6
[M+H-H2O]+ 456.25388 210.5
[M+HCOO]- 518.25482 237.0
[M+CH3COO]- 532.27047 241.7
[M+Na-2H]- 494.23129 221.6
[M]+ 473.25607 225.4
[M]- 473.25717 225.4
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.