CID 269883

Nsc111575

Structural Information

Molecular Formula
C19H16N4O2
SMILES
CN1C2=CC=CC=C2C(=C1O)N=NC(=O)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C19H16N4O2/c1-23-16-9-5-3-7-14(16)18(19(23)25)22-21-17(24)10-12-11-20-15-8-4-2-6-13(12)15/h2-9,11,20,25H,10H2,1H3
InChIKey
AMCKXLSYDOVVKO-UHFFFAOYSA-N
Compound name
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(1H-indol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

332.12732 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13460 175.4
[M+Na]+ 355.11654 186.1
[M-H]- 331.12004 183.5
[M+NH4]+ 350.16114 191.9
[M+K]+ 371.09048 180.3
[M+H-H2O]+ 315.12458 166.9
[M+HCOO]- 377.12552 201.2
[M+CH3COO]- 391.14117 187.7
[M+Na-2H]- 353.10199 180.5
[M]+ 332.12677 180.3
[M]- 332.12787 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.