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]+ 336.191776 181.0
[M+Na]+ 358.173718 186.1
[M-H]- 334.177224 185.7
[M+NH4]+ 353.218323 193.5
[M+K]+ 374.147658 186.4
[M+H-H2O]+ 318.181760 172.9
[M+HCOO]- 380.182701 198.8
[M+CH3COO]- 394.198351 219.4
[M+Na-2H]- 356.159166 185.1
[M]+ 335.18395142 184.8
[M]- 335.18504858 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.