CID 183528

Bromotopsentin

Structural Information

Molecular Formula
C20H13BrN4O2
SMILES
C1=CC2=C(C=C1O)NC=C2C(=O)C3=NC=C(N3)C4=CNC5=C4C=CC(=C5)Br
InChI
InChI=1S/C20H13BrN4O2/c21-10-1-3-12-14(7-22-16(12)5-10)18-9-24-20(25-18)19(27)15-8-23-17-6-11(26)2-4-13(15)17/h1-9,22-23,26H,(H,24,25)
InChIKey
YHGQVXFIJGWOFP-UHFFFAOYSA-N
Compound name
[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(6-hydroxy-1H-indol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

80
Patents

420.0222 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.02948 189.1
[M+Na]+ 443.01142 202.4
[M-H]- 419.01492 196.6
[M+NH4]+ 438.05602 202.8
[M+K]+ 458.98536 188.6
[M+H-H2O]+ 403.01946 188.7
[M+HCOO]- 465.02040 204.1
[M+CH3COO]- 479.03605 200.4
[M+Na-2H]- 440.99687 189.6
[M]+ 420.02165 207.6
[M]- 420.02275 207.6
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