CID 3070776

3-phenyl-4-methyl-5-pyrrolidinoethoxy-pyrazole maleate

Structural Information

Molecular Formula
C16H21N3O
SMILES
CC1=C(NN=C1OCCN2CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C16H21N3O/c1-13-15(14-7-3-2-4-8-14)17-18-16(13)20-12-11-19-9-5-6-10-19/h2-4,7-8H,5-6,9-12H2,1H3,(H,17,18)
InChIKey
WYOLZQSPOVVMKV-UHFFFAOYSA-N
Compound name
4-methyl-5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

271.16846 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 165.8
[M+Na]+ 294.15768 177.4
[M+NH4]+ 289.20228 173.1
[M+K]+ 310.13162 174.0
[M-H]- 270.16118 169.0
[M+Na-2H]- 292.14313 172.7
[M]+ 271.16791 168.1
[M]- 271.16901 168.1
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

patents stripe