CID 79218433

(3,5-diethyl-1-phenyl-1h-pyrazol-4-yl)methanamine

Structural Information

Molecular Formula
C14H19N3
SMILES
CCC1=C(C(=NN1C2=CC=CC=C2)CC)CN
InChI
InChI=1S/C14H19N3/c1-3-13-12(10-15)14(4-2)17(16-13)11-8-6-5-7-9-11/h5-9H,3-4,10,15H2,1-2H3
InChIKey
RLWSSFFFOZRAQD-UHFFFAOYSA-N
Compound name
(3,5-diethyl-1-phenylpyrazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1579 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16518 154.3
[M+Na]+ 252.14712 162.9
[M-H]- 228.15062 158.3
[M+NH4]+ 247.19172 171.5
[M+K]+ 268.12106 158.4
[M+H-H2O]+ 212.15516 145.8
[M+HCOO]- 274.15610 177.3
[M+CH3COO]- 288.17175 194.9
[M+Na-2H]- 250.13257 157.0
[M]+ 229.15735 154.7
[M]- 229.15845 154.7
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.