CID 13203539

88829-25-8

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CCC1C(=O)N(C2=C(O1)C=CC=N2)C(CN3CCCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H25N3O2/c1-2-18-21(25)24(20-19(26-18)11-8-12-22-20)17(15-23-13-6-7-14-23)16-9-4-3-5-10-16/h3-5,8-12,17-18H,2,6-7,13-15H2,1H3
InChIKey
YDYUUUCDAQKJHG-UHFFFAOYSA-N
Compound name
2-ethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 186.7
[M+Na]+ 374.18389 191.3
[M-H]- 350.18739 192.6
[M+NH4]+ 369.22849 196.0
[M+K]+ 390.15783 186.7
[M+H-H2O]+ 334.19193 175.2
[M+HCOO]- 396.19287 199.2
[M+CH3COO]- 410.20852 194.8
[M+Na-2H]- 372.16934 186.2
[M]+ 351.19412 183.9
[M]- 351.19522 183.9
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.