CID 3070422

N-methyl-3-piperidinyl 3-methylflavone-8-carboxylate hydrochloride

Structural Information

Molecular Formula
C23H23NO4
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC3CCCN(C3)C)C4=CC=CC=C4
InChI
InChI=1S/C23H23NO4/c1-15-20(25)18-11-6-12-19(23(26)27-17-10-7-13-24(2)14-17)22(18)28-21(15)16-8-4-3-5-9-16/h3-6,8-9,11-12,17H,7,10,13-14H2,1-2H3
InChIKey
CKWOBMSBMBOZAI-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

377.16272 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 191.0
[M+Na]+ 400.15194 197.7
[M-H]- 376.15544 200.5
[M+NH4]+ 395.19654 200.6
[M+K]+ 416.12588 194.1
[M+H-H2O]+ 360.15998 180.0
[M+HCOO]- 422.16092 206.6
[M+CH3COO]- 436.17657 200.5
[M+Na-2H]- 398.13739 192.5
[M]+ 377.16217 191.3
[M]- 377.16327 191.3
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