CID 3079010

Ethanamine, 2-(4-(7-methoxy-2,2-dimethyl-3-phenyl-2h-1-benzopyran-4-yl)phenoxy)-, hydrochloride

Structural Information

Molecular Formula
C26H27NO3
SMILES
CC1(C(=C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCN)C4=CC=CC=C4)C
InChI
InChI=1S/C26H27NO3/c1-26(2)25(19-7-5-4-6-8-19)24(18-9-11-20(12-10-18)29-16-15-27)22-14-13-21(28-3)17-23(22)30-26/h4-14,17H,15-16,27H2,1-3H3
InChIKey
UGCRBHYVWGIGJU-UHFFFAOYSA-N
Compound name
2-[4-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1991 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.20638 202.2
[M+Na]+ 424.18832 209.7
[M-H]- 400.19182 212.9
[M+NH4]+ 419.23292 214.1
[M+K]+ 440.16226 205.4
[M+H-H2O]+ 384.19636 191.2
[M+HCOO]- 446.19730 221.7
[M+CH3COO]- 460.21295 211.9
[M+Na-2H]- 422.17377 205.5
[M]+ 401.19855 205.2
[M]- 401.19965 205.2
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.