CID 2318069

3-(pyrrolidine-1-sulfonyl)benzohydrazide

Structural Information

Molecular Formula
C11H15N3O3S
SMILES
C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN
InChI
InChI=1S/C11H15N3O3S/c12-13-11(15)9-4-3-5-10(8-9)18(16,17)14-6-1-2-7-14/h3-5,8H,1-2,6-7,12H2,(H,13,15)
InChIKey
JHVLVYXHBGGAFG-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-ylsulfonylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

269.0834 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09068 158.6
[M+Na]+ 292.07262 164.5
[M-H]- 268.07612 163.4
[M+NH4]+ 287.11722 174.6
[M+K]+ 308.04656 161.2
[M+H-H2O]+ 252.08066 151.5
[M+HCOO]- 314.08160 175.5
[M+CH3COO]- 328.09725 194.9
[M+Na-2H]- 290.05807 160.4
[M]+ 269.08285 156.4
[M]- 269.08395 156.4
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