CID 15955094

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

Structural Information

Molecular Formula
C27H39N5O5
SMILES
CC1=C2COC(N3C2(O3)CC=C1NC(=O)OC(C)(C)C)N(CC(C)C)C(=O)N(C)CCC4=CN=CC=C4
InChI
InChI=1S/C27H39N5O5/c1-18(2)16-31(24(34)30(7)14-11-20-9-8-13-28-15-20)25-32-27(37-32)12-10-22(19(3)21(27)17-35-25)29-23(33)36-26(4,5)6/h8-10,13,15,18,25H,11-12,14,16-17H2,1-7H3,(H,29,33)
InChIKey
KAELJYYFDRXECO-UHFFFAOYSA-N
Compound name
tert-butyl N-[6-methyl-3-[2-methylpropyl-[methyl(2-pyridin-3-ylethyl)carbamoyl]amino]-5,9-dihydro-3H-oxazireno[3,2-j][3,1]benzoxazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.2951 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.30238 229.9
[M+Na]+ 536.28432 232.8
[M-H]- 512.28782 238.7
[M+NH4]+ 531.32892 230.2
[M+K]+ 552.25826 234.2
[M+H-H2O]+ 496.29236 220.3
[M+HCOO]- 558.29330 241.4
[M+CH3COO]- 572.30895 258.6
[M+Na-2H]- 534.26977 231.6
[M]+ 513.29455 238.8
[M]- 513.29565 238.8
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.