CID 9574382

Nsc622392

Structural Information

Molecular Formula
C19H27N5O5
SMILES
CC(C)(C)C(=O)C/C(=N/NC(=O)C(=O)NN)/CCC(=O)NC1=CC=C(C=C1)OC
InChI
InChI=1S/C19H27N5O5/c1-19(2,3)15(25)11-13(23-24-18(28)17(27)22-20)7-10-16(26)21-12-5-8-14(29-4)9-6-12/h5-6,8-9H,7,10-11,20H2,1-4H3,(H,21,26)(H,22,27)(H,24,28)/b23-13+
InChIKey
BZIPLCNHHPWMBD-YDZHTSKRSA-N
Compound name
(4E)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-N-(4-methoxyphenyl)-7,7-dimethyl-6-oxooctanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.20123 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.20851 196.9
[M+Na]+ 428.19045 197.2
[M-H]- 404.19395 200.3
[M+NH4]+ 423.23505 205.9
[M+K]+ 444.16439 197.9
[M+H-H2O]+ 388.19849 187.8
[M+HCOO]- 450.19943 219.5
[M+CH3COO]- 464.21508 237.7
[M+Na-2H]- 426.17590 196.0
[M]+ 405.20068 197.1
[M]- 405.20178 197.1
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.