CID 15955050

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

Structural Information

Molecular Formula
C31H35N5O5
SMILES
CCN(C1=CC=CC=N1)C(=O)N(CCCC2=CC=CC=C2)C3=NC4=C(C(=C(C=C4)NC(=O)OC(C)(C)C)C)C(=O)O3
InChI
InChI=1S/C31H35N5O5/c1-6-35(25-16-10-11-19-32-25)30(39)36(20-12-15-22-13-8-7-9-14-22)28-33-24-18-17-23(21(2)26(24)27(37)40-28)34-29(38)41-31(3,4)5/h7-11,13-14,16-19H,6,12,15,20H2,1-5H3,(H,34,38)
InChIKey
UZYZKABQEVSDBW-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[[ethyl(pyridin-2-yl)carbamoyl]-(3-phenylpropyl)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

557.2638 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.27108 239.8
[M+Na]+ 580.25302 242.2
[M-H]- 556.25652 250.1
[M+NH4]+ 575.29762 240.4
[M+K]+ 596.22696 241.3
[M+H-H2O]+ 540.26106 226.0
[M+HCOO]- 602.26200 257.0
[M+CH3COO]- 616.27765 265.0
[M+Na-2H]- 578.23847 242.3
[M]+ 557.26325 246.5
[M]- 557.26435 246.5
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.