CID 389493

Nsc685716

Structural Information

Molecular Formula
C15H17N3O3
SMILES
CC1=CC2=C(C=C1NC(=O)C)N=C3N2CCC3OC(=O)C
InChI
InChI=1S/C15H17N3O3/c1-8-6-13-12(7-11(8)16-9(2)19)17-15-14(21-10(3)20)4-5-18(13)15/h6-7,14H,4-5H2,1-3H3,(H,16,19)
InChIKey
XJIYXDYOCFOWKR-UHFFFAOYSA-N
Compound name
(6-acetamido-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.12698 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13426 165.9
[M+Na]+ 310.11620 175.5
[M-H]- 286.11970 170.0
[M+NH4]+ 305.16080 184.8
[M+K]+ 326.09014 172.6
[M+H-H2O]+ 270.12424 159.2
[M+HCOO]- 332.12518 187.0
[M+CH3COO]- 346.14083 204.6
[M+Na-2H]- 308.10165 167.2
[M]+ 287.12643 170.4
[M]- 287.12753 170.4
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.