CID 5361807

7-hydroxy-2-methyl-8-(morpholinomethyl)isoflavone hydrochloride

Structural Information

Molecular Formula
C21H21NO4
SMILES
CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H21NO4/c1-14-19(15-5-3-2-4-6-15)20(24)16-7-8-18(23)17(21(16)26-14)13-22-9-11-25-12-10-22/h2-8,23H,9-13H2,1H3
InChIKey
CLSISILCABZETM-UHFFFAOYSA-N
Compound name
7-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

351.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 184.6
[M+Na]+ 374.13628 192.1
[M-H]- 350.13978 193.7
[M+NH4]+ 369.18088 193.5
[M+K]+ 390.11022 189.0
[M+H-H2O]+ 334.14432 174.1
[M+HCOO]- 396.14526 199.3
[M+CH3COO]- 410.16091 194.4
[M+Na-2H]- 372.12173 188.3
[M]+ 351.14651 184.6
[M]- 351.14761 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

No patent data available for this compound.