CID 1965197

N-(3-methyl-1-phenyl-1h-pyrazol-5-yl)-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C17H14N4S
SMILES
CC1=NN(C(=C1)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4
InChI
InChI=1S/C17H14N4S/c1-12-11-16(21(20-12)13-7-3-2-4-8-13)19-17-18-14-9-5-6-10-15(14)22-17/h2-11H,1H3,(H,18,19)
InChIKey
MNGHVJVVPAUOSO-UHFFFAOYSA-N
Compound name
N-(5-methyl-2-phenylpyrazol-3-yl)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0939 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.101176 167.7
[M+Na]+ 329.083118 180.0
[M-H]- 305.086624 176.7
[M+NH4]+ 324.127723 184.1
[M+K]+ 345.057058 173.3
[M+H-H2O]+ 289.091160 159.4
[M+HCOO]- 351.092101 188.0
[M+CH3COO]- 365.107751 180.5
[M+Na-2H]- 327.068566 170.5
[M]+ 306.09335142 172.2
[M]- 306.09444858 172.2
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

No patent data available for this compound.