CID 72201050

Gsk205

Structural Information

Molecular Formula
C24H24N4S
SMILES
CN(CCC1=CC=C(C=C1)NC2=NC=C(S2)C3=CN=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H24N4S/c1-28(18-20-6-3-2-4-7-20)15-13-19-9-11-22(12-10-19)27-24-26-17-23(29-24)21-8-5-14-25-16-21/h2-12,14,16-17H,13,15,18H2,1H3,(H,26,27)
InChIKey
HCWMMJROAJNTCM-UHFFFAOYSA-N
Compound name
N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

19
Patents

400.17218 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17946 194.2
[M+Na]+ 423.16140 200.1
[M-H]- 399.16490 205.3
[M+NH4]+ 418.20600 204.2
[M+K]+ 439.13534 192.8
[M+H-H2O]+ 383.16944 182.7
[M+HCOO]- 445.17038 213.7
[M+CH3COO]- 459.18603 203.5
[M+Na-2H]- 421.14685 196.1
[M]+ 400.17163 196.3
[M]- 400.17273 196.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe