CID 15955158

2,2-dimethyl-n-(5-methyl-2-{1-methyl-1-[methyl-(2-pyridin-2-yl)-carbamoyl]-ethylamino}--4-oxo-4h-benzo[d][1,3]oxazin-6-yl)-propionamide

Structural Information

Molecular Formula
C24H29N5O4
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)(C)CC(=O)NC3=CC=CC=N3)NC(=O)C(C)(C)C
InChI
InChI=1S/C24H29N5O4/c1-14-15(26-21(32)23(2,3)4)10-11-16-19(14)20(31)33-22(27-16)29-24(5,6)13-18(30)28-17-9-7-8-12-25-17/h7-12H,13H2,1-6H3,(H,26,32)(H,27,29)(H,25,28,30)
InChIKey
CCVSRKYSCHLMJQ-UHFFFAOYSA-N
Compound name
3-[[6-(2,2-dimethylpropanoylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-methyl-N-pyridin-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.22195 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.22923 213.1
[M+Na]+ 474.21117 218.1
[M-H]- 450.21467 218.9
[M+NH4]+ 469.25577 218.0
[M+K]+ 490.18511 215.8
[M+H-H2O]+ 434.21921 202.7
[M+HCOO]- 496.22015 229.1
[M+CH3COO]- 510.23580 242.5
[M+Na-2H]- 472.19662 218.9
[M]+ 451.22140 216.4
[M]- 451.22250 216.4
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.