CID 6480798

3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-phenyl-n-(p-tolyl)thiazol-2-imine

Structural Information

Molecular Formula
C22H21N5O2S
SMILES
CC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=CC=C3)CCN4C(=NC=C4[N+](=O)[O-])C
InChI
InChI=1S/C22H21N5O2S/c1-16-8-10-19(11-9-16)24-22-26(20(15-30-22)18-6-4-3-5-7-18)13-12-25-17(2)23-14-21(25)27(28)29/h3-11,14-15H,12-13H2,1-2H3
InChIKey
BNEAZCAZGFRXAH-UHFFFAOYSA-N
Compound name
3-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.1416 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14888 200.5
[M+Na]+ 442.13082 209.2
[M-H]- 418.13432 212.9
[M+NH4]+ 437.17542 210.4
[M+K]+ 458.10476 198.1
[M+H-H2O]+ 402.13886 194.1
[M+HCOO]- 464.13980 222.3
[M+CH3COO]- 478.15545 222.1
[M+Na-2H]- 440.11627 201.6
[M]+ 419.14105 204.0
[M]- 419.14215 204.0
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.