CID 15955235

4-(dimethylamino)-n-[4-[[2-[ethyl-[methyl-[2-(2-pyridyl)ethyl]carbamoyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]amino]-4-oxo-butyl]pyridine-3-carboxamide

Structural Information

Molecular Formula
C32H38N8O5
SMILES
CCN(C1=NC2=C(C(=C(C=C2)NC(=O)CCCNC(=O)C3=C(C=CN=C3)N(C)C)C)C(=O)O1)C(=O)N(C)CCC4=CC=CC=N4
InChI
InChI=1S/C32H38N8O5/c1-6-40(32(44)39(5)19-15-22-10-7-8-16-34-22)31-37-25-13-12-24(21(2)28(25)30(43)45-31)36-27(41)11-9-17-35-29(42)23-20-33-18-14-26(23)38(3)4/h7-8,10,12-14,16,18,20H,6,9,11,15,17,19H2,1-5H3,(H,35,42)(H,36,41)
InChIKey
SOLWRZDHINEIMN-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-N-[4-[[2-[ethyl-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]amino]-4-oxobutyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.2965 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.30378 252.6
[M+Na]+ 637.28572 253.2
[M-H]- 613.28922 262.9
[M+NH4]+ 632.33032 249.4
[M+K]+ 653.25966 253.2
[M+H-H2O]+ 597.29376 237.5
[M+HCOO]- 659.29470 271.4
[M+CH3COO]- 673.31035 285.2
[M+Na-2H]- 635.27117 253.4
[M]+ 614.29595 259.7
[M]- 614.29705 259.7
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.