CID 3041620

54495-65-7

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CC1=C(C2=C(N1)C=CC3=C2CN(CO3)C(C)C)C(=O)OC
InChI
InChI=1S/C16H20N2O3/c1-9(2)18-7-11-13(21-8-18)6-5-12-15(11)14(10(3)17-12)16(19)20-4/h5-6,9,17H,7-8H2,1-4H3
InChIKey
AIVJYEHQUXJCNG-UHFFFAOYSA-N
Compound name
methyl 8-methyl-2-propan-2-yl-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

288.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 167.0
[M+Na]+ 311.13662 179.4
[M+NH4]+ 306.18122 174.0
[M+K]+ 327.11056 176.1
[M-H]- 287.14012 168.7
[M+Na-2H]- 309.12207 168.9
[M]+ 288.14685 169.1
[M]- 288.14795 169.1
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.