CID 10586684

Nbd-pz

Structural Information

Molecular Formula
C10H11N5O3
SMILES
C1CN(CCN1)C2=CC=C(C3=NON=C23)[N+](=O)[O-]
InChI
InChI=1S/C10H11N5O3/c16-15(17)8-2-1-7(9-10(8)13-18-12-9)14-5-3-11-4-6-14/h1-2,11H,3-6H2
InChIKey
MVLWYDGJBGPXOL-UHFFFAOYSA-N
Compound name
4-nitro-7-piperazin-1-yl-2,1,3-benzoxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

57
Patents

249.08618 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.093456 150.0
[M+Na]+ 272.075398 157.0
[M-H]- 248.078904 152.0
[M+NH4]+ 267.120003 161.2
[M+K]+ 288.049338 150.0
[M+H-H2O]+ 232.083440 144.7
[M+HCOO]- 294.084381 166.8
[M+CH3COO]- 308.100031 183.0
[M+Na-2H]- 270.060846 159.3
[M]+ 249.08563142 145.8
[M]- 249.08672858 145.8
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