CID 135613205

Apoptosis inducer 33

Structural Information

Molecular Formula
C16H13N3O2
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=O)C3=CC(=CC=C3)O
InChI
InChI=1S/C16H13N3O2/c20-13-5-3-4-11(8-13)16(21)19-18-10-12-9-17-15-7-2-1-6-14(12)15/h1-10,17,20H,(H,19,21)/b18-10+
InChIKey
SKXOLXVGBYDJDU-VCHYOVAHSA-N
Compound name
3-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

279.10077 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 160.6
[M+Na]+ 302.08999 168.5
[M-H]- 278.09349 166.3
[M+NH4]+ 297.13459 176.6
[M+K]+ 318.06393 162.9
[M+H-H2O]+ 262.09803 152.4
[M+HCOO]- 324.09897 185.4
[M+CH3COO]- 338.11462 172.4
[M+Na-2H]- 300.07544 167.3
[M]+ 279.10022 160.2
[M]- 279.10132 160.2
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.