CID 468620

N'-(4-nitrophenyl)sulfonylpyridine-4-carbohydrazide

Structural Information

Molecular Formula
C12H10N4O5S
SMILES
C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C12H10N4O5S/c17-12(9-5-7-13-8-6-9)14-15-22(20,21)11-3-1-10(2-4-11)16(18)19/h1-8,15H,(H,14,17)
InChIKey
OEKCOMMZYKHADM-UHFFFAOYSA-N
Compound name
N'-(4-nitrophenyl)sulfonylpyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

322.0372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.04448 163.8
[M+Na]+ 345.02642 168.6
[M-H]- 321.02992 169.2
[M+NH4]+ 340.07102 174.5
[M+K]+ 361.00036 160.8
[M+H-H2O]+ 305.03446 159.4
[M+HCOO]- 367.03540 183.7
[M+CH3COO]- 381.05105 198.7
[M+Na-2H]- 343.01187 173.2
[M]+ 322.03665 162.3
[M]- 322.03775 162.3
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

No patent data available for this compound.