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]+ 399.19145 196.2
[M+Na]+ 421.17339 200.6
[M-H]- 397.17689 199.9
[M+NH4]+ 416.21799 204.2
[M+K]+ 437.14733 197.2
[M+H-H2O]+ 381.18143 185.1
[M+HCOO]- 443.18237 204.8
[M+CH3COO]- 457.19802 202.9
[M+Na-2H]- 419.15884 198.1
[M]+ 398.18362 193.3
[M]- 398.18472 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