CID 2973588

895042-70-3

Structural Information

Molecular Formula
C13H16ClN3
SMILES
CC(C)(C)C1=NN(C(=C1)N)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H16ClN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-5-9(14)7-10/h4-8H,15H2,1-3H3
InChIKey
IWCLOZVCLBLBQX-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

249.10327 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11055 158.7
[M+Na]+ 272.09249 168.9
[M-H]- 248.09599 163.0
[M+NH4]+ 267.13709 176.0
[M+K]+ 288.06643 163.3
[M+H-H2O]+ 232.10053 151.3
[M+HCOO]- 294.10147 175.6
[M+CH3COO]- 308.11712 195.3
[M+Na-2H]- 270.07794 162.0
[M]+ 249.10272 160.0
[M]- 249.10382 160.0
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

patents stripe