CID 747707

Atrafovjhwfhez-uhfffaoysa-n

Structural Information

Molecular Formula
C16H13N3O2
SMILES
CC1=CC=C(C=C1)C(=O)N=NC2=C(NC3=CC=CC=C32)O
InChI
InChI=1S/C16H13N3O2/c1-10-6-8-11(9-7-10)15(20)19-18-14-12-4-2-3-5-13(12)17-16(14)21/h2-9,17,21H,1H3
InChIKey
XNOWHDJBCVOQGM-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.10077 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 161.4
[M+Na]+ 302.08999 170.7
[M-H]- 278.09349 169.0
[M+NH4]+ 297.13459 178.5
[M+K]+ 318.06393 165.9
[M+H-H2O]+ 262.09803 153.2
[M+HCOO]- 324.09897 187.7
[M+CH3COO]- 338.11462 174.2
[M+Na-2H]- 300.07544 167.7
[M]+ 279.10022 163.3
[M]- 279.10132 163.3
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.