CID 15955090

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

Structural Information

Molecular Formula
C30H39N5O5
SMILES
CCN(C1=CC=CC=N1)C(=O)N(CCC2CCCCC2)C3=NC4=C(C(=C(C=C4)NC(=O)OC(C)(C)C)C)C(=O)O3
InChI
InChI=1S/C30H39N5O5/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/h10-11,14-16,18,21H,6-9,12-13,17,19H2,1-5H3,(H,33,37)
InChIKey
ZSWQACTVWFRKGO-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[2-cyclohexylethyl-[ethyl(pyridin-2-yl)carbamoyl]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

549.2951 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.30238 235.3
[M+Na]+ 572.28432 235.3
[M-H]- 548.28782 244.5
[M+NH4]+ 567.32892 236.1
[M+K]+ 588.25826 235.1
[M+H-H2O]+ 532.29236 222.0
[M+HCOO]- 594.29330 248.8
[M+CH3COO]- 608.30895 263.6
[M+Na-2H]- 570.26977 235.7
[M]+ 549.29455 237.7
[M]- 549.29565 237.7
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.