CID 3070422

86433-34-3

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

8
Patents

377.16272 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.169996 191.0
[M+Na]+ 400.151938 197.7
[M-H]- 376.155444 200.5
[M+NH4]+ 395.196543 200.6
[M+K]+ 416.125878 194.1
[M+H-H2O]+ 360.159980 180.0
[M+HCOO]- 422.160921 206.6
[M+CH3COO]- 436.176571 200.5
[M+Na-2H]- 398.137386 192.5
[M]+ 377.16217142 191.3
[M]- 377.16326858 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