CID 135683640

325807-44-1

Structural Information

Molecular Formula
C16H13N3O3
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C16H13N3O3/c20-11-5-6-13(15(21)7-11)16(22)19-18-9-10-8-17-14-4-2-1-3-12(10)14/h1-9,17,20-21H,(H,19,22)/b18-9+
InChIKey
ZNSQKCGIRWNJBM-GIJQJNRQSA-N
Compound name
2,4-dihydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0957 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10298 163.8
[M+Na]+ 318.08492 171.9
[M-H]- 294.08842 168.6
[M+NH4]+ 313.12952 178.6
[M+K]+ 334.05886 166.3
[M+H-H2O]+ 278.09296 155.9
[M+HCOO]- 340.09390 187.2
[M+CH3COO]- 354.10955 201.2
[M+Na-2H]- 316.07037 169.4
[M]+ 295.09515 163.4
[M]- 295.09625 163.4
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.