CID 778073

496931-73-8

Structural Information

Molecular Formula
C14H19N3
SMILES
CC1=NN(C(=C1C2=CC=CC=C2)N)C(C)(C)C
InChI
InChI=1S/C14H19N3/c1-10-12(11-8-6-5-7-9-11)13(15)17(16-10)14(2,3)4/h5-9H,15H2,1-4H3
InChIKey
DOXLNMCPYVRQBU-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-methyl-4-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

229.1579 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16518 155.3
[M+Na]+ 252.14712 164.4
[M-H]- 228.15062 159.8
[M+NH4]+ 247.19172 172.7
[M+K]+ 268.12106 160.4
[M+H-H2O]+ 212.15516 147.7
[M+HCOO]- 274.15610 176.7
[M+CH3COO]- 288.17175 194.6
[M+Na-2H]- 250.13257 158.8
[M]+ 229.15735 155.2
[M]- 229.15845 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe