CID 3047617

4-nitrosohydrochlorothiazide

Structural Information

Molecular Formula
C7H7ClN4O5S2
SMILES
C1NS(=O)(=O)C2=CC(=C(C=C2N1N=O)Cl)S(=O)(=O)N
InChI
InChI=1S/C7H7ClN4O5S2/c8-4-1-5-7(2-6(4)18(9,14)15)19(16,17)10-3-12(5)11-13/h1-2,10H,3H2,(H2,9,14,15)
InChIKey
QJNIRHJVSXLTEW-UHFFFAOYSA-N
Compound name
6-chloro-4-nitroso-1,1-dioxo-2,3-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

325.95465 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.96193 159.2
[M+Na]+ 348.94387 169.8
[M-H]- 324.94737 160.6
[M+NH4]+ 343.98847 174.0
[M+K]+ 364.91781 164.1
[M+H-H2O]+ 308.95191 155.1
[M+HCOO]- 370.95285 164.9
[M+CH3COO]- 384.96850 202.3
[M+Na-2H]- 346.92932 166.3
[M]+ 325.95410 162.8
[M]- 325.95520 162.8
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

patents stripe