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]+ 246.160096 156.6
[M+Na]+ 268.142038 164.1
[M-H]- 244.145544 160.7
[M+NH4]+ 263.186643 173.0
[M+K]+ 284.115978 160.5
[M+H-H2O]+ 228.150080 147.6
[M+HCOO]- 290.151021 180.5
[M+CH3COO]- 304.166671 196.4
[M+Na-2H]- 266.127486 161.2
[M]+ 245.15227142 159.0
[M]- 245.15336858 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

literature stripe

Patent stripe

No patent data available for this compound.