CID 135488702

4-hydroxy-1-methyl-3-((phenylimino)(1h-tetrazol-5-yl)methyl)quinolin-2(1h)-one

Structural Information

Molecular Formula
C18H14N6O2
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)C(=NC3=CC=CC=C3)C4=NNN=N4)O
InChI
InChI=1S/C18H14N6O2/c1-24-13-10-6-5-9-12(13)16(25)14(18(24)26)15(17-20-22-23-21-17)19-11-7-3-2-4-8-11/h2-10,25H,1H3,(H,20,21,22,23)
InChIKey
ZGXRZJPFGPNVFA-UHFFFAOYSA-N
Compound name
4-hydroxy-1-methyl-3-[N-phenyl-C-(2H-tetrazol-5-yl)carbonimidoyl]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

346.11783 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12511 180.8
[M+Na]+ 369.10705 191.4
[M-H]- 345.11055 185.3
[M+NH4]+ 364.15165 188.6
[M+K]+ 385.08099 183.5
[M+H-H2O]+ 329.11509 169.2
[M+HCOO]- 391.11603 199.2
[M+CH3COO]- 405.13168 190.4
[M+Na-2H]- 367.09250 186.5
[M]+ 346.11728 181.8
[M]- 346.11838 181.8
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