CID 44629982

4-(n,n-dimethylaminosulfonyl)-7-amino-2,1,3-benzoxadiazole

Structural Information

Molecular Formula
C8H10N4O3S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N
InChI
InChI=1S/C8H10N4O3S/c1-12(2)16(13,14)6-4-3-5(9)7-8(6)11-15-10-7/h3-4H,9H2,1-2H3
InChIKey
ZRHMJRAHRITJBK-UHFFFAOYSA-N
Compound name
7-amino-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04736 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05464 149.1
[M+Na]+ 265.03658 160.6
[M-H]- 241.04008 154.2
[M+NH4]+ 260.08118 166.4
[M+K]+ 281.01052 159.6
[M+H-H2O]+ 225.04462 142.6
[M+HCOO]- 287.04556 168.8
[M+CH3COO]- 301.06121 194.7
[M+Na-2H]- 263.02203 156.0
[M]+ 242.04681 155.4
[M]- 242.04791 155.4
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