CID 6445978

Thiazole, 4,5-dihydro-4,4-dimethyl-2-(2-(4-nitrophenyl)ethenyl)-

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
CC1(CSC(=N1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C13H14N2O2S/c1-13(2)9-18-12(14-13)8-5-10-3-6-11(7-4-10)15(16)17/h3-8H,9H2,1-2H3/b8-5+
InChIKey
ZNECRFPIODNHHD-VMPITWQZSA-N
Compound name
4,4-dimethyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0776 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.084876 158.0
[M+Na]+ 285.066818 165.7
[M-H]- 261.070324 163.9
[M+NH4]+ 280.111423 176.9
[M+K]+ 301.040758 157.5
[M+H-H2O]+ 245.074860 156.0
[M+HCOO]- 307.075801 176.9
[M+CH3COO]- 321.091451 187.2
[M+Na-2H]- 283.052266 161.6
[M]+ 262.07705142 157.5
[M]- 262.07814858 157.5
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.