CID 3070088

Spiro(4h-3,1-benzoxazine-4,4'-piperidin)-2(1h)-one, 1'-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-

Structural Information

Molecular Formula
C22H26N2O5
SMILES
COC1=C(C=C(C=C1)C(CN2CCC3(CC2)C4=CC=CC=C4NC(=O)O3)O)OC
InChI
InChI=1S/C22H26N2O5/c1-27-19-8-7-15(13-20(19)28-2)18(25)14-24-11-9-22(10-12-24)16-5-3-4-6-17(16)23-21(26)29-22/h3-8,13,18,25H,9-12,14H2,1-2H3,(H,23,26)
InChIKey
SUFJDOKLDFCPCN-UHFFFAOYSA-N
Compound name
1'-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

398.18417 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.191446 196.2
[M+Na]+ 421.173388 200.6
[M-H]- 397.176894 199.9
[M+NH4]+ 416.217993 204.2
[M+K]+ 437.147328 197.2
[M+H-H2O]+ 381.181430 185.1
[M+HCOO]- 443.182371 204.8
[M+CH3COO]- 457.198021 202.9
[M+Na-2H]- 419.158836 198.1
[M]+ 398.18362142 193.3
[M]- 398.18471858 193.3
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