CID 15955130

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

Structural Information

Molecular Formula
C28H37N5O4
SMILES
CC1=C(C=CC2=C1COC(=N2)N3CCCC[C@H]3C(=O)N(C)CCC4=CC=CC=N4)NC(=O)OC(C)(C)C
InChI
InChI=1S/C28H37N5O4/c1-19-21-18-36-26(30-23(21)13-12-22(19)31-27(35)37-28(2,3)4)33-16-9-7-11-24(33)25(34)32(5)17-14-20-10-6-8-15-29-20/h6,8,10,12-13,15,24H,7,9,11,14,16-18H2,1-5H3,(H,31,35)/t24-/m0/s1
InChIKey
DIXHKIBMJKTAPQ-DEOSSOPVSA-N
Compound name
tert-butyl N-[5-methyl-2-[(2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]piperidin-1-yl]-4H-3,1-benzoxazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.28455 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.29183 227.7
[M+Na]+ 530.27377 228.6
[M-H]- 506.27727 234.3
[M+NH4]+ 525.31837 228.8
[M+K]+ 546.24771 226.4
[M+H-H2O]+ 490.28181 214.5
[M+HCOO]- 552.28275 237.3
[M+CH3COO]- 566.29840 251.0
[M+Na-2H]- 528.25922 227.7
[M]+ 507.28400 227.3
[M]- 507.28510 227.3
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.