CID 374009

Nsc651083

Structural Information

Molecular Formula
C15H14ClN3O5
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)CCl)NC(=O)C
InChI
InChI=1S/C15H14ClN3O5/c1-6-10(17-7(2)20)14(23)11-12(13(6)22)19-4-3-8(15(19)18-11)24-9(21)5-16/h8H,3-5H2,1-2H3,(H,17,20)
InChIKey
QRMDOHVWPHIYAC-UHFFFAOYSA-N
Compound name
(6-acetamido-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.0622 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.06948 177.7
[M+Na]+ 374.05142 187.9
[M-H]- 350.05492 181.6
[M+NH4]+ 369.09602 194.8
[M+K]+ 390.02536 183.9
[M+H-H2O]+ 334.05946 172.4
[M+HCOO]- 396.06040 191.9
[M+CH3COO]- 410.07605 214.5
[M+Na-2H]- 372.03687 176.0
[M]+ 351.06165 183.7
[M]- 351.06275 183.7
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.