CID 13212006

88966-63-6

Structural Information

Molecular Formula
C21H27N3O
SMILES
CCC1CN(C2=C(O1)C=CC=N2)C(CN3CCCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H27N3O/c1-2-18-15-24(21-20(25-18)11-8-12-22-21)19(16-23-13-6-7-14-23)17-9-4-3-5-10-17/h3-5,8-12,18-19H,2,6-7,13-16H2,1H3
InChIKey
ZFPUVMPUZNQZAJ-UHFFFAOYSA-N
Compound name
2-ethyl-4-(1-phenyl-2-pyrrolidin-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 183.8
[M+Na]+ 360.20464 187.4
[M-H]- 336.20814 189.2
[M+NH4]+ 355.24924 193.6
[M+K]+ 376.17858 182.8
[M+H-H2O]+ 320.21268 172.0
[M+HCOO]- 382.21362 196.0
[M+CH3COO]- 396.22927 191.7
[M+Na-2H]- 358.19009 183.9
[M]+ 337.21487 179.8
[M]- 337.21597 179.8
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.