CID 6516389

Nsc631685

Structural Information

Molecular Formula
C19H26N4O5
SMILES
CC(C)(C)C(=O)C/C(=N/NC(=O)C(=O)N)/CCC(=O)NC1=CC=C(C=C1)OC
InChI
InChI=1S/C19H26N4O5/c1-19(2,3)15(24)11-13(22-23-18(27)17(20)26)7-10-16(25)21-12-5-8-14(28-4)9-6-12/h5-6,8-9H,7,10-11H2,1-4H3,(H2,20,26)(H,21,25)(H,23,27)/b22-13+
InChIKey
GXWHSIVQDVLJBX-LPYMAVHISA-N
Compound name
N'-[(E)-[1-(4-methoxyanilino)-7,7-dimethyl-1,6-dioxooctan-4-ylidene]amino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1903 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19758 193.6
[M+Na]+ 413.17952 194.8
[M-H]- 389.18302 197.1
[M+NH4]+ 408.22412 203.6
[M+K]+ 429.15346 195.0
[M+H-H2O]+ 373.18756 185.0
[M+HCOO]- 435.18850 215.2
[M+CH3COO]- 449.20415 232.8
[M+Na-2H]- 411.16497 192.2
[M]+ 390.18975 194.8
[M]- 390.19085 194.8
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.