CID 123841

141923-47-9

Structural Information

Molecular Formula
C14H20N4O3S
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)N2CCCCC2
InChI
InChI=1S/C14H20N4O3S/c1-22(20,21)12-9-10(13(19)17-14(15)16)5-6-11(12)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3,(H4,15,16,17,19)
InChIKey
WITSYJHGEIZBQU-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)-3-methylsulfonyl-4-piperidin-1-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

124
References

70
Patents

324.1256 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13288 171.3
[M+Na]+ 347.11482 177.9
[M+NH4]+ 342.15942 176.2
[M+K]+ 363.08876 173.2
[M-H]- 323.11832 173.3
[M+Na-2H]- 345.10027 175.3
[M]+ 324.12505 172.6
[M]- 324.12615 172.6
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