CID 13212002

88810-17-7

Structural Information

Molecular Formula
C21H27N3O
SMILES
CC1(CN(C2=C(O1)C=CC=N2)C(CN3CCCC3)C4=CC=CC=C4)C
InChI
InChI=1S/C21H27N3O/c1-21(2)16-24(20-19(25-21)11-8-12-22-20)18(15-23-13-6-7-14-23)17-9-4-3-5-10-17/h3-5,8-12,18H,6-7,13-16H2,1-2H3
InChIKey
WKQGZMONENQMAA-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-3H-pyrido[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

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 184.1
[M+Na]+ 360.20464 188.8
[M-H]- 336.20814 189.9
[M+NH4]+ 355.24924 196.0
[M+K]+ 376.17858 184.5
[M+H-H2O]+ 320.21268 172.4
[M+HCOO]- 382.21362 196.4
[M+CH3COO]- 396.22927 192.4
[M+Na-2H]- 358.19009 185.1
[M]+ 337.21487 180.4
[M]- 337.21597 180.4
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.