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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11250 168.6
[M+Na]+ 334.09444 177.3
[M-H]- 310.09794 172.1
[M+NH4]+ 329.13904 179.5
[M+K]+ 350.06838 174.7
[M+H-H2O]+ 294.10248 160.4
[M+HCOO]- 356.10342 179.9
[M+CH3COO]- 370.11907 178.8
[M+Na-2H]- 332.07989 172.9
[M]+ 311.10467 170.6
[M]- 311.10577 170.6
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