CID 24844280

102129-27-1

Structural Information

Molecular Formula
C19H23N3O2
SMILES
C1COCCN1CCC2=NN(C(C2)C3=CC=CO3)C4=CC=CC=C4
InChI
InChI=1S/C19H23N3O2/c1-2-5-17(6-3-1)22-18(19-7-4-12-24-19)15-16(20-22)8-9-21-10-13-23-14-11-21/h1-7,12,18H,8-11,13-15H2
InChIKey
BJYAYEUNVFXBHD-UHFFFAOYSA-N
Compound name
4-[2-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 175.8
[M+Na]+ 348.16824 180.4
[M-H]- 324.17174 184.9
[M+NH4]+ 343.21284 185.5
[M+K]+ 364.14218 178.1
[M+H-H2O]+ 308.17628 165.2
[M+HCOO]- 370.17722 191.4
[M+CH3COO]- 384.19287 185.4
[M+Na-2H]- 346.15369 174.9
[M]+ 325.17847 173.5
[M]- 325.17957 173.5
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.