CID 15955084

{5-methyl-2-[1s-(methyl-pyridin-2-ylmethyl-carbamoyl)-2-phenyl-ethylamino]-4-oxo-4h-benzo[d][1,3]oxazin-6-yl}-carbamic acid tert-butyl ester

Structural Information

Molecular Formula
C30H33N5O5
SMILES
CCN(C1=CC=CC=N1)C(=O)N(CCC2=CC=CC=C2)C3=NC4=C(C(=C(C=C4)NC(=O)OC(C)(C)C)C)C(=O)O3
InChI
InChI=1S/C30H33N5O5/c1-6-34(24-14-10-11-18-31-24)29(38)35(19-17-21-12-8-7-9-13-21)27-32-23-16-15-22(20(2)25(23)26(36)39-27)33-28(37)40-30(3,4)5/h7-16,18H,6,17,19H2,1-5H3,(H,33,37)
InChIKey
LSJCZBFUTWVTMO-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[[ethyl(pyridin-2-yl)carbamoyl]-(2-phenylethyl)amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.24817 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.25545 235.5
[M+Na]+ 566.23739 238.4
[M-H]- 542.24089 246.0
[M+NH4]+ 561.28199 236.7
[M+K]+ 582.21133 237.6
[M+H-H2O]+ 526.24543 221.9
[M+HCOO]- 588.24637 253.1
[M+CH3COO]- 602.26202 262.2
[M+Na-2H]- 564.22284 238.5
[M]+ 543.24762 241.9
[M]- 543.24872 241.9
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.