CID 15955213

Schembl6636636

Structural Information

Molecular Formula
C25H31N5O4
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)(C)C(=O)N(C)CCC3=CC=CC=N3)NC(=O)C(C)C
InChI
InChI=1S/C25H31N5O4/c1-15(2)21(31)27-18-10-11-19-20(16(18)3)22(32)34-24(28-19)29-25(4,5)23(33)30(6)14-12-17-9-7-8-13-26-17/h7-11,13,15H,12,14H2,1-6H3,(H,27,31)(H,28,29)
InChIKey
RMJPXVFPEZHOBY-UHFFFAOYSA-N
Compound name
N,2-dimethyl-2-[[5-methyl-6-(2-methylpropanoylamino)-4-oxo-3,1-benzoxazin-2-yl]amino]-N-(2-pyridin-2-ylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

465.2376 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.24488 217.0
[M+Na]+ 488.22682 221.0
[M-H]- 464.23032 223.7
[M+NH4]+ 483.27142 221.6
[M+K]+ 504.20076 219.7
[M+H-H2O]+ 448.23486 205.8
[M+HCOO]- 510.23580 233.8
[M+CH3COO]- 524.25145 249.5
[M+Na-2H]- 486.21227 219.3
[M]+ 465.23705 221.9
[M]- 465.23815 221.9
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.