CID 374011

Nsc651085

Structural Information

Molecular Formula
C20H17N3O5
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)C4=CC=CC=C4)NC(=O)C
InChI
InChI=1S/C20H17N3O5/c1-10-14(21-11(2)24)18(26)15-16(17(10)25)23-9-8-13(19(23)22-15)28-20(27)12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3,(H,21,24)
InChIKey
WEGRWWZXLSYSBE-UHFFFAOYSA-N
Compound name
(6-acetamido-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

379.11682 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.12410 186.8
[M+Na]+ 402.10604 195.0
[M-H]- 378.10954 193.8
[M+NH4]+ 397.15064 201.2
[M+K]+ 418.07998 191.3
[M+H-H2O]+ 362.11408 179.2
[M+HCOO]- 424.11502 205.1
[M+CH3COO]- 438.13067 221.8
[M+Na-2H]- 400.09149 185.0
[M]+ 379.11627 189.9
[M]- 379.11737 189.9
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

No patent data available for this compound.