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]+ 216.14952 150.6
[M+Na]+ 238.13146 159.3
[M-H]- 214.13496 155.0
[M+NH4]+ 233.17606 168.3
[M+K]+ 254.10540 155.5
[M+H-H2O]+ 198.13950 142.9
[M+HCOO]- 260.14044 172.4
[M+CH3COO]- 274.15609 190.4
[M+Na-2H]- 236.11691 155.4
[M]+ 215.14169 149.8
[M]- 215.14279 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