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]+ 312.207046 176.6
[M+Na]+ 334.188988 184.0
[M-H]- 310.192494 186.3
[M+NH4]+ 329.233593 191.5
[M+K]+ 350.162928 181.5
[M+H-H2O]+ 294.197030 167.5
[M+HCOO]- 356.197971 199.0
[M+CH3COO]- 370.213621 213.3
[M+Na-2H]- 332.174436 175.4
[M]+ 311.19922142 180.2
[M]- 311.20031858 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.