CID 46943415

Tmcb

Structural Information

Molecular Formula
C11H9Br4N3O2
SMILES
CN(C)C1=NC2=C(N1CC(=O)O)C(=C(C(=C2Br)Br)Br)Br
InChI
InChI=1S/C11H9Br4N3O2/c1-17(2)11-16-9-7(14)5(12)6(13)8(15)10(9)18(11)3-4(19)20/h3H2,1-2H3,(H,19,20)
InChIKey
PHAOTASRLQMKBE-UHFFFAOYSA-N
Compound name
2-[4,5,6,7-tetrabromo-2-(dimethylamino)benzimidazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

308
Patents

530.74286 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.75014 166.3
[M+Na]+ 553.73208 161.1
[M+NH4]+ 548.77668 167.0
[M+K]+ 569.70602 167.5
[M-H]- 529.73558 168.0
[M+Na-2H]- 551.71753 167.0
[M]+ 530.74231 166.5
[M]- 530.74341 166.5
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