CID 9797370

627518-40-5

Structural Information

Molecular Formula
C18H16FN3O2
SMILES
COC1=C(C=C2C(=C1)CC3=C2NN=C3NC4=CC(=CC=C4)F)OC
InChI
InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
InChIKey
ZDNURMVOKAERHZ-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

118
Patents

325.12265 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12993 172.7
[M+Na]+ 348.11187 183.1
[M-H]- 324.11537 177.6
[M+NH4]+ 343.15647 189.4
[M+K]+ 364.08581 177.0
[M+H-H2O]+ 308.11991 164.0
[M+HCOO]- 370.12085 193.2
[M+CH3COO]- 384.13650 184.1
[M+Na-2H]- 346.09732 175.2
[M]+ 325.12210 174.9
[M]- 325.12320 174.9
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.