CID 208644

Brn 0618446

Structural Information

Molecular Formula
C14H8IN3O
SMILES
C1=CC=C2C(=C1)NC3=NC4=C(C=C(C=C4)I)C(=O)N23
InChI
InChI=1S/C14H8IN3O/c15-8-5-6-10-9(7-8)13(19)18-12-4-2-1-3-11(12)17-14(18)16-10/h1-7H,(H,16,17)
InChIKey
GFYBDLLHTVOEHC-UHFFFAOYSA-N
Compound name
2-iodo-6H-benzimidazolo[2,1-b]quinazolin-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

360.97122 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.97850 149.0
[M+Na]+ 383.96044 156.2
[M-H]- 359.96394 144.7
[M+NH4]+ 379.00504 162.0
[M+K]+ 399.93438 154.9
[M+H-H2O]+ 343.96848 137.5
[M+HCOO]- 405.96942 164.8
[M+CH3COO]- 419.98507 158.3
[M+Na-2H]- 381.94589 148.4
[M]+ 360.97067 149.9
[M]- 360.97177 149.9
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