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 161.7
[M+Na]+ 302.12237 163.5
[M-H]- 278.12587 164.2
[M+NH4]+ 297.16697 175.0
[M+K]+ 318.09631 162.4
[M+H-H2O]+ 262.13041 152.8
[M+HCOO]- 324.13135 187.8
[M+CH3COO]- 338.14700 209.6
[M+Na-2H]- 300.10782 165.3
[M]+ 279.13260 157.7
[M]- 279.13370 157.7
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.