CID 770643

337533-96-7

Structural Information

Molecular Formula
C14H19N3
SMILES
CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)N
InChI
InChI=1S/C14H19N3/c1-10-7-5-6-8-11(10)17-13(15)9-12(16-17)14(2,3)4/h5-9H,15H2,1-4H3
InChIKey
SNMGAKOWUHTEKD-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-(2-methylphenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

229.1579 Da
Monoisotopic Mass

3.6
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

No literature data available for this compound.

Patent stripe

patents stripe