CID 3074537

1,3-dihydro-5-hydroxy-3-(((phenylmethyl)amino)methylene)-2h-indol-2-one (e)-

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1=CC=C(C=C1)CN=CC2=C(NC3=C2C=C(C=C3)O)O
InChI
InChI=1S/C16H14N2O2/c19-12-6-7-15-13(8-12)14(16(20)18-15)10-17-9-11-4-2-1-3-5-11/h1-8,10,18-20H,9H2
InChIKey
ABRYCRNFZNBJQB-UHFFFAOYSA-N
Compound name
3-(benzyliminomethyl)-1H-indole-2,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 158.4
[M+Na]+ 289.09475 167.8
[M-H]- 265.09825 163.1
[M+NH4]+ 284.13935 175.1
[M+K]+ 305.06869 161.3
[M+H-H2O]+ 249.10279 151.0
[M+HCOO]- 311.10373 181.5
[M+CH3COO]- 325.11938 170.5
[M+Na-2H]- 287.08020 164.5
[M]+ 266.10498 158.7
[M]- 266.10608 158.7
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.