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]+ 307.10118 167.7
[M+Na]+ 329.08312 180.0
[M-H]- 305.08662 176.7
[M+NH4]+ 324.12772 184.1
[M+K]+ 345.05706 173.3
[M+H-H2O]+ 289.09116 159.4
[M+HCOO]- 351.09210 188.0
[M+CH3COO]- 365.10775 180.5
[M+Na-2H]- 327.06857 170.5
[M]+ 306.09335 172.2
[M]- 306.09445 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.