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

338
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 157.3
[M+Na]+ 553.73208 163.7
[M-H]- 529.73558 161.1
[M+NH4]+ 548.77668 166.4
[M+K]+ 569.70602 151.0
[M+H-H2O]+ 513.74012 174.3
[M+HCOO]- 575.74106 162.5
[M+CH3COO]- 589.75671 242.7
[M+Na-2H]- 551.71753 158.7
[M]+ 530.74231 196.9
[M]- 530.74341 196.9
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.