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]+ 328.075026 171.7
[M+Na]+ 350.056968 178.4
[M-H]- 326.060474 180.9
[M+NH4]+ 345.101573 185.0
[M+K]+ 366.030908 169.3
[M+H-H2O]+ 310.065010 167.1
[M+HCOO]- 372.065951 193.2
[M+CH3COO]- 386.081601 201.9
[M+Na-2H]- 348.042416 176.2
[M]+ 327.06720142 172.3
[M]- 327.06829858 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.