CID 44630077

179951-63-4

Structural Information

Molecular Formula
C11H16N6O4S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N(C)CC(=O)NN
InChI
InChI=1S/C11H16N6O4S/c1-16(2)22(19,20)8-5-4-7(10-11(8)15-21-14-10)17(3)6-9(18)13-12/h4-5H,6,12H2,1-3H3,(H,13,18)
InChIKey
CCERXXCKPHMFBQ-UHFFFAOYSA-N
Compound name
7-[(2-hydrazinyl-2-oxoethyl)-methylamino]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

328.09537 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10265 172.0
[M+Na]+ 351.08459 179.7
[M-H]- 327.08809 177.9
[M+NH4]+ 346.12919 185.1
[M+K]+ 367.05853 180.2
[M+H-H2O]+ 311.09263 163.8
[M+HCOO]- 373.09357 192.2
[M+CH3COO]- 387.10922 219.3
[M+Na-2H]- 349.07004 177.8
[M]+ 328.09482 178.9
[M]- 328.09592 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe