CID 3079904

N-(2,3,4,4a,5,6-hexahydro-4a-(hydroxymethyl)-3-oxobenzo(h)cinnolin-8-yl)acetamide

Structural Information

Molecular Formula
C15H17N3O3
SMILES
CC(=O)NC1=CC2=C(C=C1)C3=NNC(=O)CC3(CC2)CO
InChI
InChI=1S/C15H17N3O3/c1-9(20)16-11-2-3-12-10(6-11)4-5-15(8-19)7-13(21)17-18-14(12)15/h2-3,6,19H,4-5,7-8H2,1H3,(H,16,20)(H,17,21)
InChIKey
QQSQCRYLPKYKSA-UHFFFAOYSA-N
Compound name
N-[4a-(hydroxymethyl)-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.12698 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13426 166.1
[M+Na]+ 310.11620 176.8
[M+NH4]+ 305.16080 173.9
[M+K]+ 326.09014 169.4
[M-H]- 286.11970 166.6
[M+Na-2H]- 308.10165 170.1
[M]+ 287.12643 167.5
[M]- 287.12753 167.5
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.