CID 146082100

4-tert-butyl-1-phenyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C13H17N3
SMILES
CC(C)(C)C1=CN(N=C1N)C2=CC=CC=C2
InChI
InChI=1S/C13H17N3/c1-13(2,3)11-9-16(15-12(11)14)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,14,15)
InChIKey
QTHAJUNPTGVTPF-UHFFFAOYSA-N
Compound name
4-tert-butyl-1-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 150.6
[M+Na]+ 238.131458 159.3
[M-H]- 214.134964 155.0
[M+NH4]+ 233.176063 168.3
[M+K]+ 254.105398 155.5
[M+H-H2O]+ 198.139500 142.9
[M+HCOO]- 260.140441 172.4
[M+CH3COO]- 274.156091 190.4
[M+Na-2H]- 236.116906 155.4
[M]+ 215.14169142 149.8
[M]- 215.14278858 149.8
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