CID 135439374

Smr000113827

Structural Information

Molecular Formula
C20H18N6O3
SMILES
CCOC1=CC=C(C=C1)N=C(C2=C(C3=CC=CC=C3N(C2=O)C)O)C4=NNN=N4
InChI
InChI=1S/C20H18N6O3/c1-3-29-13-10-8-12(9-11-13)21-17(19-22-24-25-23-19)16-18(27)14-6-4-5-7-15(14)26(2)20(16)28/h4-11,27H,3H2,1-2H3,(H,22,23,24,25)
InChIKey
LEHNSRJVCJAIDA-UHFFFAOYSA-N
Compound name
3-[N-(4-ethoxyphenyl)-C-(2H-tetrazol-5-yl)carbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

390.14404 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15132 192.9
[M+Na]+ 413.13326 203.1
[M-H]- 389.13676 197.5
[M+NH4]+ 408.17786 199.0
[M+K]+ 429.10720 195.7
[M+H-H2O]+ 373.14130 180.9
[M+HCOO]- 435.14224 210.7
[M+CH3COO]- 449.15789 201.7
[M+Na-2H]- 411.11871 196.9
[M]+ 390.14349 196.2
[M]- 390.14459 196.2
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