CID 135643123

2-hydroxy-n'-(1h-indol-3-ylmethylene)benzohydrazide

Structural Information

Molecular Formula
C16H13N3O2
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C16H13N3O2/c20-15-8-4-2-6-13(15)16(21)19-18-10-11-9-17-14-7-3-1-5-12(11)14/h1-10,17,20H,(H,19,21)/b18-10+
InChIKey
UFZJBFOFFCCFQW-VCHYOVAHSA-N
Compound name
2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

279.10077 Da
Monoisotopic Mass

3.2
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

patents stripe