CID 11325222

Crotaramin

Structural Information

Molecular Formula
C21H22O4
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)CCC3=CC=C(C=C3)OC)C
InChI
InChI=1S/C21H22O4/c1-21(2)13-12-17-19(25-21)11-9-16(20(17)23)18(22)10-6-14-4-7-15(24-3)8-5-14/h4-5,7-9,11-13,23H,6,10H2,1-3H3
InChIKey
XRPKPDHAYAOPTH-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

338.1518 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 180.7
[M+Na]+ 361.14102 188.6
[M-H]- 337.14452 187.9
[M+NH4]+ 356.18562 195.4
[M+K]+ 377.11496 185.8
[M+H-H2O]+ 321.14906 172.7
[M+HCOO]- 383.15000 198.5
[M+CH3COO]- 397.16565 211.2
[M+Na-2H]- 359.12647 184.6
[M]+ 338.15125 184.6
[M]- 338.15235 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe