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]+ 288.134256 165.9
[M+Na]+ 310.116198 175.5
[M-H]- 286.119704 170.0
[M+NH4]+ 305.160803 184.8
[M+K]+ 326.090138 172.6
[M+H-H2O]+ 270.124240 159.2
[M+HCOO]- 332.125181 187.0
[M+CH3COO]- 346.140831 204.6
[M+Na-2H]- 308.101646 167.2
[M]+ 287.12643142 170.4
[M]- 287.12752858 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.