CID 53408333

862368-61-4

Structural Information

Molecular Formula
C14H19N3O
SMILES
CC(C)(C)C1=NN(C(=C1)N)C2=CC=CC=C2OC
InChI
InChI=1S/C14H19N3O/c1-14(2,3)12-9-13(15)17(16-12)10-7-5-6-8-11(10)18-4/h5-9H,15H2,1-4H3
InChIKey
KPZNCKLMOFGREF-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-(2-methoxyphenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

245.15282 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 158.5
[M+Na]+ 268.14204 167.5
[M-H]- 244.14554 163.1
[M+NH4]+ 263.18664 175.2
[M+K]+ 284.11598 164.1
[M+H-H2O]+ 228.15008 150.7
[M+HCOO]- 290.15102 180.2
[M+CH3COO]- 304.16667 196.7
[M+Na-2H]- 266.12749 162.1
[M]+ 245.15227 159.8
[M]- 245.15337 159.8
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

patents stripe