CID 68901

Eflumast

Structural Information

Molecular Formula
C10H8FN5O3
SMILES
CC(=O)C1=C(C(=CC(=C1)F)NC(=O)C2=NNN=N2)O
InChI
InChI=1S/C10H8FN5O3/c1-4(17)6-2-5(11)3-7(8(6)18)12-10(19)9-13-15-16-14-9/h2-3,18H,1H3,(H,12,19)(H,13,14,15,16)
InChIKey
BKAPZKSRERAYQD-UHFFFAOYSA-N
Compound name
N-(3-acetyl-5-fluoro-2-hydroxyphenyl)-2H-tetrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

83
Patents

265.06113 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06841 155.3
[M+Na]+ 288.05035 164.4
[M-H]- 264.05385 154.3
[M+NH4]+ 283.09495 166.5
[M+K]+ 304.02429 160.2
[M+H-H2O]+ 248.05839 145.5
[M+HCOO]- 310.05933 172.5
[M+CH3COO]- 324.07498 193.3
[M+Na-2H]- 286.03580 157.6
[M]+ 265.06058 153.1
[M]- 265.06168 153.1
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.