CID 3047034

Morpholine, 4-(3-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)propyl)-, monomethanesulfonate

Structural Information

Molecular Formula
C22H25N3O2
SMILES
C1COCCN1CCCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3O2/c1-3-8-19(9-4-1)21-18-25(20-10-5-2-6-11-20)23-22(21)27-15-7-12-24-13-16-26-17-14-24/h1-6,8-11,18H,7,12-17H2
InChIKey
DPEZHSGMGAYYBC-UHFFFAOYSA-N
Compound name
4-[3-(1,4-diphenylpyrazol-3-yl)oxypropyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 187.7
[M+Na]+ 386.18389 191.9
[M-H]- 362.18739 195.6
[M+NH4]+ 381.22849 195.1
[M+K]+ 402.15783 187.1
[M+H-H2O]+ 346.19193 174.9
[M+HCOO]- 408.19287 203.6
[M+CH3COO]- 422.20852 196.0
[M+Na-2H]- 384.16934 189.0
[M]+ 363.19412 186.0
[M]- 363.19522 186.0
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.