CID 3041591

54436-12-3

Structural Information

Molecular Formula
C21H31N3O3
SMILES
CCN(CC)CCN1CC2=C(C=CC3=C2C(=C(N3)C)C(=O)OC(C)C)OC1
InChI
InChI=1S/C21H31N3O3/c1-6-23(7-2)10-11-24-12-16-18(26-13-24)9-8-17-20(16)19(15(5)22-17)21(25)27-14(3)4/h8-9,14,22H,6-7,10-13H2,1-5H3
InChIKey
FDWFODXKKXEUJW-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[2-(diethylamino)ethyl]-8-methyl-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

373.23654 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.24382 192.7
[M+Na]+ 396.22576 202.9
[M+NH4]+ 391.27036 198.5
[M+K]+ 412.19970 199.4
[M-H]- 372.22926 194.7
[M+Na-2H]- 394.21121 193.2
[M]+ 373.23599 194.5
[M]- 373.23709 194.5
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.