CID 132229

Dbd-pz

Structural Information

Molecular Formula

C₁₂H₁₇N₅O₃S

SMILES

CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCNCC3

InChI

InChI=1S/C12H17N5O3S/c1-16(2)21(18,19)10-4-3-9(11-12(10)15-20-14-11)17-7-5-13-6-8-17/h3-4,13H,5-8H2,1-2H3

InChIKey

XFQLOSBBYVMBGT-UHFFFAOYSA-N

Compound name

N,N-dimethyl-7-piperazin-1-yl-2,1,3-benzoxadiazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 36
Patents: 311.10522 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	312.11250	166.5
[M+Na]+	334.09444	177.3
[M+NH4]+	329.13904	172.0
[M+K]+	350.06838	173.9
[M-H]-	310.09794	168.3
[M+Na-2H]-	332.07989	170.9
[M]+	311.10467	168.7
[M]-	311.10577	168.7

Literature stripe

literature stripe

Patent stripe

patents stripe