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

123
Patents

325.12265 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.129926 172.7
[M+Na]+ 348.111868 183.1
[M-H]- 324.115374 177.6
[M+NH4]+ 343.156473 189.4
[M+K]+ 364.085808 177.0
[M+H-H2O]+ 308.119910 164.0
[M+HCOO]- 370.120851 193.2
[M+CH3COO]- 384.136501 184.1
[M+Na-2H]- 346.097316 175.2
[M]+ 325.12210142 174.9
[M]- 325.12319858 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

literature stripe

Patent stripe

patents stripe