CID 5776742

Nsc632237

Structural Information

Molecular Formula
C20H28N4O4
SMILES
CC1=C(C=C(C=C1)NC(=O)CC/C(=N\NC(=O)C(=O)N)/CC(=O)C(C)(C)C)C
InChI
InChI=1S/C20H28N4O4/c1-12-6-7-14(10-13(12)2)22-17(26)9-8-15(11-16(25)20(3,4)5)23-24-19(28)18(21)27/h6-7,10H,8-9,11H2,1-5H3,(H2,21,27)(H,22,26)(H,24,28)/b23-15+
InChIKey
YOGIWKZIZBVCAT-HZHRSRAPSA-N
Compound name
N'-[(E)-[1-(3,4-dimethylanilino)-7,7-dimethyl-1,6-dioxooctan-4-ylidene]amino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.21106 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.21834 195.8
[M+Na]+ 411.20028 197.7
[M-H]- 387.20378 199.5
[M+NH4]+ 406.24488 206.3
[M+K]+ 427.17422 197.1
[M+H-H2O]+ 371.20832 187.5
[M+HCOO]- 433.20926 216.8
[M+CH3COO]- 447.22491 234.9
[M+Na-2H]- 409.18573 192.9
[M]+ 388.21051 196.3
[M]- 388.21161 196.3
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.