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]+ 352.201946 186.7
[M+Na]+ 374.183888 191.3
[M-H]- 350.187394 192.6
[M+NH4]+ 369.228493 196.0
[M+K]+ 390.157828 186.7
[M+H-H2O]+ 334.191930 175.2
[M+HCOO]- 396.192871 199.2
[M+CH3COO]- 410.208521 194.8
[M+Na-2H]- 372.169336 186.2
[M]+ 351.19412142 183.9
[M]- 351.19521858 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.