CID 27019

P-319

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CC1=NN(C(=C1)OCCN(C)CCO)C2=CC=CC=C2
InChI
InChI=1S/C15H21N3O2/c1-13-12-15(20-11-9-17(2)8-10-19)18(16-13)14-6-4-3-5-7-14/h3-7,12,19H,8-11H2,1-2H3
InChIKey
AJMCZFKEQAVFPW-UHFFFAOYSA-N
Compound name
2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1634 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.170676 164.6
[M+Na]+ 298.152618 171.1
[M-H]- 274.156124 168.7
[M+NH4]+ 293.197223 179.6
[M+K]+ 314.126558 168.5
[M+H-H2O]+ 258.160660 155.3
[M+HCOO]- 320.161601 187.3
[M+CH3COO]- 334.177251 202.3
[M+Na-2H]- 296.138066 167.5
[M]+ 275.16285142 168.1
[M]- 275.16394858 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

No patent data available for this compound.