CID 2337227

364740-29-4

Structural Information

Molecular Formula
C19H19BrN2O2S
SMILES
COC1=C(C=C(C=C1)CCNC2=NC(=CS2)C3=CC=C(C=C3)Br)OC
InChI
InChI=1S/C19H19BrN2O2S/c1-23-17-8-3-13(11-18(17)24-2)9-10-21-19-22-16(12-25-19)14-4-6-15(20)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKey
KSKJRIUWFXTJPH-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.03506 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.04234 182.5
[M+Na]+ 441.02428 194.1
[M-H]- 417.02778 193.9
[M+NH4]+ 436.06888 198.0
[M+K]+ 456.99822 181.0
[M+H-H2O]+ 401.03232 180.4
[M+HCOO]- 463.03326 200.4
[M+CH3COO]- 477.04891 195.5
[M+Na-2H]- 439.00973 184.6
[M]+ 418.03451 206.4
[M]- 418.03561 206.4
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.