CID 15955144

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

Structural Information

Molecular Formula
C28H35N5O5
SMILES
CCN(C1=CN=CC=C1)C(=O)C2(CCCCC2)NC3=NC4=C(C(=C(C=C4)NC(=O)OC(C)(C)C)C)C(=O)O3
InChI
InChI=1S/C28H35N5O5/c1-6-33(19-11-10-16-29-17-19)24(35)28(14-8-7-9-15-28)32-25-30-21-13-12-20(18(2)22(21)23(34)37-25)31-26(36)38-27(3,4)5/h10-13,16-17H,6-9,14-15H2,1-5H3,(H,30,32)(H,31,36)
InChIKey
VRRUZJMXJLCWBO-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[[1-[ethyl(pyridin-3-yl)carbamoyl]cyclohexyl]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

521.2638 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.27108 226.2
[M+Na]+ 544.25302 228.2
[M-H]- 520.25652 234.7
[M+NH4]+ 539.29762 229.7
[M+K]+ 560.22696 227.5
[M+H-H2O]+ 504.26106 213.9
[M+HCOO]- 566.26200 240.0
[M+CH3COO]- 580.27765 255.2
[M+Na-2H]- 542.23847 229.7
[M]+ 521.26325 227.5
[M]- 521.26435 227.5
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.