CID 391531

Nsc690780

Structural Information

Molecular Formula
C19H16N4O2
SMILES
CC(=O)NC1=CC2=C(C=C1)C3=C(N2)C=C4C=CC(=CC4=N3)NC(=O)C
InChI
InChI=1S/C19H16N4O2/c1-10(24)20-13-4-3-12-7-18-19(23-16(12)8-13)15-6-5-14(21-11(2)25)9-17(15)22-18/h3-9,22H,1-2H3,(H,20,24)(H,21,25)
InChIKey
ZGSIPZVHOSDLSZ-UHFFFAOYSA-N
Compound name
N-(3-acetamido-10H-indolo[3,2-b]quinolin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12732 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13460 175.4
[M+Na]+ 355.11654 185.4
[M-H]- 331.12004 179.2
[M+NH4]+ 350.16114 190.4
[M+K]+ 371.09048 179.1
[M+H-H2O]+ 315.12458 167.1
[M+HCOO]- 377.12552 196.1
[M+CH3COO]- 391.14117 186.2
[M+Na-2H]- 353.10199 182.6
[M]+ 332.12677 178.3
[M]- 332.12787 178.3
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.