CID 357310

Azacrinilamide

Structural Information

Molecular Formula
C18H14N4O2S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=NC3=N2)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C18H14N4O2S/c19-25(23,24)13-9-7-12(8-10-13)21-17-14-4-1-2-6-16(14)22-18-15(17)5-3-11-20-18/h1-11H,(H2,19,23,24)(H,20,21,22)
InChIKey
FNZOWNMQXCJNJA-UHFFFAOYSA-N
Compound name
4-(benzo[b][1,8]naphthyridin-5-ylamino)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.08374 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09102 177.3
[M+Na]+ 373.07296 187.9
[M-H]- 349.07646 183.3
[M+NH4]+ 368.11756 189.2
[M+K]+ 389.04690 180.5
[M+H-H2O]+ 333.08100 168.2
[M+HCOO]- 395.08194 194.1
[M+CH3COO]- 409.09759 187.8
[M+Na-2H]- 371.05841 187.8
[M]+ 350.08319 179.7
[M]- 350.08429 179.7
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.