CID 202735

13200-70-9

Structural Information

Molecular Formula
C14H19N3O
SMILES
CC1=NN(C(=C1)OCCNC)CC2=CC=CC=C2
InChI
InChI=1S/C14H19N3O/c1-12-10-14(18-9-8-15-2)17(16-12)11-13-6-4-3-5-7-13/h3-7,10,15H,8-9,11H2,1-2H3
InChIKey
CAFYSOFTDLYNFG-UHFFFAOYSA-N
Compound name
2-(2-benzyl-5-methylpyrazol-3-yl)oxy-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 156.6
[M+Na]+ 268.14204 164.1
[M-H]- 244.14554 160.7
[M+NH4]+ 263.18664 173.0
[M+K]+ 284.11598 160.5
[M+H-H2O]+ 228.15008 147.6
[M+HCOO]- 290.15102 180.5
[M+CH3COO]- 304.16667 196.4
[M+Na-2H]- 266.12749 161.2
[M]+ 245.15227 159.0
[M]- 245.15337 159.0
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.