CID 13212010

88799-24-0

Structural Information

Molecular Formula
C22H29N3O
SMILES
CCCC1CN(C2=C(O1)C=CC=N2)C(CN3CCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H29N3O/c1-2-9-19-16-25(22-21(26-19)12-8-13-23-22)20(17-24-14-6-7-15-24)18-10-4-3-5-11-18/h3-5,8,10-13,19-20H,2,6-7,9,14-17H2,1H3
InChIKey
ZQWPLJPGSLTGOV-UHFFFAOYSA-N
Compound name
4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-propyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.23105 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 188.3
[M+Na]+ 374.22027 191.3
[M-H]- 350.22377 193.4
[M+NH4]+ 369.26487 197.4
[M+K]+ 390.19421 186.5
[M+H-H2O]+ 334.22831 176.2
[M+HCOO]- 396.22925 200.0
[M+CH3COO]- 410.24490 195.6
[M+Na-2H]- 372.20572 187.8
[M]+ 351.23050 184.5
[M]- 351.23160 184.5
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.