CID 388354

Nsc683238

Structural Information

Molecular Formula
C12H19N5O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NN)C(=O)NN
InChI
InChI=1S/C12H19N5O4S/c1-8-2-4-9(5-3-8)22(20,21)17-10(12(19)16-14)6-7-11(18)15-13/h2-5,10,17H,6-7,13-14H2,1H3,(H,15,18)(H,16,19)
InChIKey
ZAPVQEQGHDKANZ-UHFFFAOYSA-N
Compound name
N-(1,5-dihydrazinyl-1,5-dioxopentan-2-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11578 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12306 171.0
[M+Na]+ 352.10500 173.3
[M-H]- 328.10850 172.7
[M+NH4]+ 347.14960 182.3
[M+K]+ 368.07894 170.9
[M+H-H2O]+ 312.11304 162.4
[M+HCOO]- 374.11398 189.4
[M+CH3COO]- 388.12963 217.4
[M+Na-2H]- 350.09045 172.4
[M]+ 329.11523 168.5
[M]- 329.11633 168.5
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.