CID 9571231

Nsc622395

Structural Information

Molecular Formula
C18H24N4O4
SMILES
CC/C(=N/NC(=O)C(=O)N)/CC(=O)CCC(=O)NC1=CC(=C(C=C1)C)C
InChI
InChI=1S/C18H24N4O4/c1-4-13(21-22-18(26)17(19)25)10-15(23)7-8-16(24)20-14-6-5-11(2)12(3)9-14/h5-6,9H,4,7-8,10H2,1-3H3,(H2,19,25)(H,20,24)(H,22,26)/b21-13-
InChIKey
ICSGRZSNPMMJEL-BKUYFWCQSA-N
Compound name
N'-[(Z)-[8-(3,4-dimethylanilino)-5,8-dioxooctan-3-ylidene]amino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.17975 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.18703 188.6
[M+Na]+ 383.16897 190.9
[M-H]- 359.17247 192.3
[M+NH4]+ 378.21357 200.0
[M+K]+ 399.14291 189.9
[M+H-H2O]+ 343.17701 179.7
[M+HCOO]- 405.17795 211.8
[M+CH3COO]- 419.19360 229.4
[M+Na-2H]- 381.15442 185.4
[M]+ 360.17920 188.9
[M]- 360.18030 188.9
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.