CID 13211997

88810-13-3

Structural Information

Molecular Formula
C21H27N3O
SMILES
CC1CN(C2=C(O1)C=CC=N2)C(CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H27N3O/c1-17-15-24(21-20(25-17)11-8-12-22-21)19(18-9-4-2-5-10-18)16-23-13-6-3-7-14-23/h2,4-5,8-12,17,19H,3,6-7,13-16H2,1H3
InChIKey
JLCLSEWGFLOJLF-UHFFFAOYSA-N
Compound name
2-methyl-4-(1-phenyl-2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 184.6
[M+Na]+ 360.20464 187.2
[M-H]- 336.20814 189.2
[M+NH4]+ 355.24924 192.2
[M+K]+ 376.17858 182.4
[M+H-H2O]+ 320.21268 171.7
[M+HCOO]- 382.21362 194.3
[M+CH3COO]- 396.22927 191.5
[M+Na-2H]- 358.19009 186.8
[M]+ 337.21487 178.2
[M]- 337.21597 178.2
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

No patent data available for this compound.