CID 9574383

Nsc631667

Structural Information

Molecular Formula
C20H29N5O4
SMILES
CC1=C(C=C(C=C1)NC(=O)CC/C(=N/NC(=O)C(=O)NN)/CC(=O)C(C)(C)C)C
InChI
InChI=1S/C20H29N5O4/c1-12-6-7-14(10-13(12)2)22-17(27)9-8-15(11-16(26)20(3,4)5)24-25-19(29)18(28)23-21/h6-7,10H,8-9,11,21H2,1-5H3,(H,22,27)(H,23,28)(H,25,29)/b24-15-
InChIKey
VIVLTDBJIFUSLH-IWIPYMOSSA-N
Compound name
(4Z)-N-(3,4-dimethylphenyl)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7,7-dimethyl-6-oxooctanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.22195 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.22923 199.7
[M+Na]+ 426.21117 200.7
[M-H]- 402.21467 203.4
[M+NH4]+ 421.25577 209.2
[M+K]+ 442.18511 200.5
[M+H-H2O]+ 386.21921 190.9
[M+HCOO]- 448.22015 221.7
[M+CH3COO]- 462.23580 239.7
[M+Na-2H]- 424.19662 197.2
[M]+ 403.22140 199.3
[M]- 403.22250 199.3
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.