CID 24844274

102149-31-5

Structural Information

Molecular Formula
C18H23N3O
SMILES
CC1=CC=C(C=C1)N2C(CC(=N2)CCN(C)C)C3=CC=CO3
InChI
InChI=1S/C18H23N3O/c1-14-6-8-16(9-7-14)21-17(18-5-4-12-22-18)13-15(19-21)10-11-20(2)3/h4-9,12,17H,10-11,13H2,1-3H3
InChIKey
ZXUAOUNGJOQPNY-UHFFFAOYSA-N
Compound name
2-[3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1841 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.191376 171.7
[M+Na]+ 320.173318 178.7
[M-H]- 296.176824 181.3
[M+NH4]+ 315.217923 186.9
[M+K]+ 336.147258 176.5
[M+H-H2O]+ 280.181360 162.5
[M+HCOO]- 342.182301 194.5
[M+CH3COO]- 356.197951 183.7
[M+Na-2H]- 318.158766 171.8
[M]+ 297.18355142 174.7
[M]- 297.18464858 174.7
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.