CID 24844278

102129-26-0

Structural Information

Molecular Formula
C19H25N3O
SMILES
CC1=CC=C(C=C1)N2C(CC(=N2)CCN(C)C)C3=CC=C(O3)C
InChI
InChI=1S/C19H25N3O/c1-14-5-8-17(9-6-14)22-18(19-10-7-15(2)23-19)13-16(20-22)11-12-21(3)4/h5-10,18H,11-13H2,1-4H3
InChIKey
HBUPWQYFFQOLTC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[3-(5-methylfuran-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.19977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20705 176.6
[M+Na]+ 334.18899 184.0
[M-H]- 310.19249 186.3
[M+NH4]+ 329.23359 191.5
[M+K]+ 350.16293 181.5
[M+H-H2O]+ 294.19703 167.5
[M+HCOO]- 356.19797 199.0
[M+CH3COO]- 370.21362 213.3
[M+Na-2H]- 332.17444 175.4
[M]+ 311.19922 180.2
[M]- 311.20032 180.2
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.