CID 71301191

97051-00-8

Structural Information

Molecular Formula
C17H25N3O4
SMILES
CC(C)(C)NCCN1C(=O)COC2=C1C=CC(=C2)OC(=O)N(C)C
InChI
InChI=1S/C17H25N3O4/c1-17(2,3)18-8-9-20-13-7-6-12(24-16(22)19(4)5)10-14(13)23-11-15(20)21/h6-7,10,18H,8-9,11H2,1-5H3
InChIKey
CDZGDYBFQGXMIN-UHFFFAOYSA-N
Compound name
[4-[2-(tert-butylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1845 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19178 181.0
[M+Na]+ 358.17372 186.1
[M-H]- 334.17722 185.7
[M+NH4]+ 353.21832 193.5
[M+K]+ 374.14766 186.4
[M+H-H2O]+ 318.18176 172.9
[M+HCOO]- 380.18270 198.8
[M+CH3COO]- 394.19835 219.4
[M+Na-2H]- 356.15917 185.1
[M]+ 335.18395 184.8
[M]- 335.18505 184.8
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.