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]+ 338.222696 184.1
[M+Na]+ 360.204638 188.8
[M-H]- 336.208144 189.9
[M+NH4]+ 355.249243 196.0
[M+K]+ 376.178578 184.5
[M+H-H2O]+ 320.212680 172.4
[M+HCOO]- 382.213621 196.4
[M+CH3COO]- 396.229271 192.4
[M+Na-2H]- 358.190086 185.1
[M]+ 337.21487142 180.4
[M]- 337.21596858 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.