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 205.9
[M+Na]+ 507.10574 208.6
[M-H]- 483.10924 215.8
[M+NH4]+ 502.15034 207.2
[M+K]+ 523.07968 200.7
[M+H-H2O]+ 467.11378 199.1
[M+HCOO]- 529.11472 220.1
[M+CH3COO]- 543.13037 230.4
[M+Na-2H]- 505.09119 212.3
[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.