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]+ 338.222696 183.8
[M+Na]+ 360.204638 187.4
[M-H]- 336.208144 189.2
[M+NH4]+ 355.249243 193.6
[M+K]+ 376.178578 182.8
[M+H-H2O]+ 320.212680 172.0
[M+HCOO]- 382.213621 196.0
[M+CH3COO]- 396.229271 191.7
[M+Na-2H]- 358.190086 183.9
[M]+ 337.21487142 179.8
[M]- 337.21596858 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.