CID 203773

P-320

Structural Information

Molecular Formula
C16H21N3O
SMILES
CC1=NN(C(=C1)OCCN2CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C16H21N3O/c1-14-13-16(20-12-11-18-9-5-6-10-18)19(17-14)15-7-3-2-4-8-15/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKey
IHCLNKOHTBEGCB-UHFFFAOYSA-N
Compound name
3-methyl-1-phenyl-5-(2-pyrrolidin-1-ylethoxy)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 163.8
[M+Na]+ 294.15768 170.3
[M-H]- 270.16118 169.4
[M+NH4]+ 289.20228 179.2
[M+K]+ 310.13162 166.5
[M+H-H2O]+ 254.16572 153.6
[M+HCOO]- 316.16666 183.8
[M+CH3COO]- 330.18231 174.8
[M+Na-2H]- 292.14313 163.9
[M]+ 271.16791 163.5
[M]- 271.16901 163.5
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.