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 168.0
[M+Na]+ 311.13662 176.9
[M-H]- 287.14012 170.5
[M+NH4]+ 306.18122 183.4
[M+K]+ 327.11056 174.1
[M+H-H2O]+ 271.14466 160.9
[M+HCOO]- 333.14560 182.8
[M+CH3COO]- 347.16125 202.0
[M+Na-2H]- 309.12207 169.9
[M]+ 288.14685 170.9
[M]- 288.14795 170.9
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.