CID 3041592

54436-13-4

Structural Information

Molecular Formula
C21H29N3O4
SMILES
CC1=C(C2=C(N1)C=CC3=C2CN(CO3)CCN4CCOCC4)C(=O)OC(C)C
InChI
InChI=1S/C21H29N3O4/c1-14(2)28-21(25)19-15(3)22-17-4-5-18-16(20(17)19)12-24(13-27-18)7-6-23-8-10-26-11-9-23/h4-5,14,22H,6-13H2,1-3H3
InChIKey
OMGNEMQHTMVYAP-UHFFFAOYSA-N
Compound name
propan-2-yl 8-methyl-2-(2-morpholin-4-ylethyl)-3,7-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.21582 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.22310 195.9
[M+Na]+ 410.20504 200.5
[M-H]- 386.20854 199.1
[M+NH4]+ 405.24964 203.3
[M+K]+ 426.17898 198.0
[M+H-H2O]+ 370.21308 185.9
[M+HCOO]- 432.21402 203.6
[M+CH3COO]- 446.22967 202.9
[M+Na-2H]- 408.19049 194.3
[M]+ 387.21527 195.9
[M]- 387.21637 195.9
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.