CID 3074714

160857-65-8

Structural Information

Molecular Formula
C21H20N6O6S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2CCC(=CC2)C3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H20N6O6S/c1-14(28)22-17-4-8-19(9-5-17)34(31,32)25-26-12-10-16(11-13-26)21-24-23-20(33-21)15-2-6-18(7-3-15)27(29)30/h2-10,25H,11-13H2,1H3,(H,22,28)
InChIKey
MIYYYNJGIYDWCH-UHFFFAOYSA-N
Compound name
N-[4-[[4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.11652 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.12380 200.8
[M+Na]+ 507.10574 211.8
[M+NH4]+ 502.15034 204.0
[M+K]+ 523.07968 211.3
[M-H]- 483.10924 207.7
[M+Na-2H]- 505.09119 208.7
[M]+ 484.11597 204.2
[M]- 484.11707 204.2
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.