CID 691160

N-(2-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C16H13N3O3S
SMILES
COC1=CC=CC=C1NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H13N3O3S/c1-22-15-5-3-2-4-13(15)17-16-18-14(10-23-16)11-6-8-12(9-7-11)19(20)21/h2-10H,1H3,(H,17,18)
InChIKey
WQUCUHIAOIPUMX-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.06775 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07503 171.7
[M+Na]+ 350.05697 178.4
[M-H]- 326.06047 180.9
[M+NH4]+ 345.10157 185.0
[M+K]+ 366.03091 169.3
[M+H-H2O]+ 310.06501 167.1
[M+HCOO]- 372.06595 193.2
[M+CH3COO]- 386.08160 201.9
[M+Na-2H]- 348.04242 176.2
[M]+ 327.06720 172.3
[M]- 327.06830 172.3
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.