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
3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

245.15282 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.160096 158.5
[M+Na]+ 268.142038 167.5
[M-H]- 244.145544 163.1
[M+NH4]+ 263.186643 175.2
[M+K]+ 284.115978 164.1
[M+H-H2O]+ 228.150080 150.7
[M+HCOO]- 290.151021 180.2
[M+CH3COO]- 304.166671 196.7
[M+Na-2H]- 266.127486 162.1
[M]+ 245.15227142 159.8
[M]- 245.15336858 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