CID 15955757

Tert-butyl 1-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]cyclopropanecarboxylate

Structural Information

Molecular Formula
C17H20N2O4
SMILES
CC1=C2C(=CC=C1)N=C(OC2=O)NC3(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H20N2O4/c1-10-6-5-7-11-12(10)13(20)22-15(18-11)19-17(8-9-17)14(21)23-16(2,3)4/h5-7H,8-9H2,1-4H3,(H,18,19)
InChIKey
OUMOIQWGGHCWMJ-UHFFFAOYSA-N
Compound name
tert-butyl 1-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14958 176.1
[M+Na]+ 339.13152 186.5
[M-H]- 315.13502 184.3
[M+NH4]+ 334.17612 186.4
[M+K]+ 355.10546 184.5
[M+H-H2O]+ 299.13956 169.1
[M+HCOO]- 361.14050 195.0
[M+CH3COO]- 375.15615 210.9
[M+Na-2H]- 337.11697 183.3
[M]+ 316.14175 183.8
[M]- 316.14285 183.8
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.