CID 1117196

Ptc-209

Structural Information

Molecular Formula
C17H13Br2N5OS
SMILES
CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=C(C=C(C=C4Br)OC)Br
InChI
InChI=1S/C17H13Br2N5OS/c1-9-15(24-5-3-4-20-16(24)21-9)13-8-26-17(22-13)23-14-11(18)6-10(25-2)7-12(14)19/h3-8H,1-2H3,(H,22,23)
InChIKey
XVOOCQSWCCRVDY-UHFFFAOYSA-N
Compound name
N-(2,6-dibromo-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

61
Patents

492.92075 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.92803 166.0
[M+Na]+ 515.90997 180.5
[M-H]- 491.91347 176.7
[M+NH4]+ 510.95457 180.0
[M+K]+ 531.88391 165.2
[M+H-H2O]+ 475.91801 174.2
[M+HCOO]- 537.91895 179.2
[M+CH3COO]- 551.93460 179.6
[M+Na-2H]- 513.89542 170.2
[M]+ 492.92020 205.5
[M]- 492.92130 205.5
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