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 164.0
[M+Na]+ 294.15768 170.0
[M-H]- 270.16118 168.3
[M+NH4]+ 289.20228 178.7
[M+K]+ 310.13162 165.4
[M+H-H2O]+ 254.16572 154.1
[M+HCOO]- 316.16666 182.6
[M+CH3COO]- 330.18231 174.4
[M+Na-2H]- 292.14313 163.8
[M]+ 271.16791 161.9
[M]- 271.16901 161.9
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