CID 171037445

Am1476

Structural Information

Molecular Formula
C11H13FN4O
SMILES
C[C@@H]1CN(N=C1C2=C(C=C(C=C2)F)O)C(=N)N
InChI
InChI=1S/C11H13FN4O/c1-6-5-16(11(13)14)15-10(6)8-3-2-7(12)4-9(8)17/h2-4,6,17H,5H2,1H3,(H3,13,14)/t6-/m1/s1
InChIKey
AQXHIDRAVIMBME-ZCFIWIBFSA-N
Compound name
(4R)-5-(4-fluoro-2-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10735 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11463 151.8
[M+Na]+ 259.09657 160.3
[M-H]- 235.10007 153.9
[M+NH4]+ 254.14117 167.7
[M+K]+ 275.07051 155.9
[M+H-H2O]+ 219.10461 143.2
[M+HCOO]- 281.10555 172.3
[M+CH3COO]- 295.12120 194.3
[M+Na-2H]- 257.08202 152.8
[M]+ 236.10680 146.6
[M]- 236.10790 146.6
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.