CID 57027

Brn 2705448

Structural Information

Molecular Formula
C12H17N5O3
SMILES
C1=CC=C(C=C1)NC(=O)CCCNNC(=O)C(=O)NN
InChI
InChI=1S/C12H17N5O3/c13-16-11(19)12(20)17-14-8-4-7-10(18)15-9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8,13H2,(H,15,18)(H,16,19)(H,17,20)
InChIKey
IRUKJGJDLZGRJM-UHFFFAOYSA-N
Compound name
4-[2-(2-hydrazinyl-2-oxoacetyl)hydrazinyl]-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13315 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14043 164.9
[M+Na]+ 302.12237 169.0
[M+NH4]+ 297.16697 168.7
[M+K]+ 318.09631 166.3
[M-H]- 278.12587 166.0
[M+Na-2H]- 300.10782 167.7
[M]+ 279.13260 164.7
[M]- 279.13370 164.7
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.