CID 24844272

102149-30-4

Structural Information

Molecular Formula
C17H21N3O
SMILES
CN(C)CCC1=NN(C(C1)C2=CC=CO2)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3O/c1-19(2)11-10-14-13-16(17-9-6-12-21-17)20(18-14)15-7-4-3-5-8-15/h3-9,12,16H,10-11,13H2,1-2H3
InChIKey
QJGBTXARRCITLY-UHFFFAOYSA-N
Compound name
2-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 166.8
[M+Na]+ 306.15768 173.3
[M-H]- 282.16118 176.1
[M+NH4]+ 301.20228 182.2
[M+K]+ 322.13162 171.3
[M+H-H2O]+ 266.16572 157.4
[M+HCOO]- 328.16666 189.9
[M+CH3COO]- 342.18231 178.8
[M+Na-2H]- 304.14313 168.1
[M]+ 283.16791 169.0
[M]- 283.16901 169.0
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.