CID 44629802

Daabd-cl [=4-[2-(dimethylamino)ethylaminosulfonyl]-7-chloro-2,1,3-benzoxadiazole] [for proteome analysis]

Structural Information

Molecular Formula
C10H13ClN4O3S
SMILES
CN(C)CCNS(=O)(=O)C1=CC=C(C2=NON=C12)Cl
InChI
InChI=1S/C10H13ClN4O3S/c1-15(2)6-5-12-19(16,17)8-4-3-7(11)9-10(8)14-18-13-9/h3-4,12H,5-6H2,1-2H3
InChIKey
RJEYFWVHUXSWTA-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

17
Patents

304.0397 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04698 164.9
[M+Na]+ 327.02892 175.9
[M-H]- 303.03242 170.1
[M+NH4]+ 322.07352 180.7
[M+K]+ 343.00286 173.3
[M+H-H2O]+ 287.03696 158.5
[M+HCOO]- 349.03790 179.8
[M+CH3COO]- 363.05355 204.9
[M+Na-2H]- 325.01437 171.2
[M]+ 304.03915 174.7
[M]- 304.04025 174.7
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