CID 15955766

Schembl6596758

Structural Information

Molecular Formula
C21H22N2O4
SMILES
CC1=C2C(=CC=C1)N=C(OC2=O)N(CC(=O)OC(C)(C)C)C3=CC=CC=C3
InChI
InChI=1S/C21H22N2O4/c1-14-9-8-12-16-18(14)19(25)26-20(22-16)23(15-10-6-5-7-11-15)13-17(24)27-21(2,3)4/h5-12H,13H2,1-4H3
InChIKey
OMODNLDSRKPZQH-UHFFFAOYSA-N
Compound name
tert-butyl 2-(N-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)anilino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.15796 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16524 188.0
[M+Na]+ 389.14718 195.3
[M-H]- 365.15068 196.4
[M+NH4]+ 384.19178 198.9
[M+K]+ 405.12112 193.9
[M+H-H2O]+ 349.15522 178.2
[M+HCOO]- 411.15616 207.4
[M+CH3COO]- 425.17181 222.0
[M+Na-2H]- 387.13263 193.6
[M]+ 366.15741 193.9
[M]- 366.15851 193.9
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

patents stripe