CID 15955141

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

Structural Information

Molecular Formula
C25H31N5O5
SMILES
CCN(C1=CN=CC=C1)C(=O)C(C)(C)NC2=NC3=C(C(=C(C=C3)NC(=O)OC(C)(C)C)C)C(=O)O2
InChI
InChI=1S/C25H31N5O5/c1-8-30(16-10-9-13-26-14-16)21(32)25(6,7)29-22-27-18-12-11-17(15(2)19(18)20(31)34-22)28-23(33)35-24(3,4)5/h9-14H,8H2,1-7H3,(H,27,29)(H,28,33)
InChIKey
XMKSWHQDTKDUCH-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[[1-[ethyl(pyridin-3-yl)amino]-2-methyl-1-oxopropan-2-yl]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

481.2325 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.23978 219.3
[M+Na]+ 504.22172 223.7
[M-H]- 480.22522 226.3
[M+NH4]+ 499.26632 223.4
[M+K]+ 520.19566 223.4
[M+H-H2O]+ 464.22976 208.5
[M+HCOO]- 526.23070 235.6
[M+CH3COO]- 540.24635 250.0
[M+Na-2H]- 502.20717 224.3
[M]+ 481.23195 225.4
[M]- 481.23305 225.4
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.