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]+ 267.112806 158.4
[M+Na]+ 289.094748 167.8
[M-H]- 265.098254 163.1
[M+NH4]+ 284.139353 175.1
[M+K]+ 305.068688 161.3
[M+H-H2O]+ 249.102790 151.0
[M+HCOO]- 311.103731 181.5
[M+CH3COO]- 325.119381 170.5
[M+Na-2H]- 287.080196 164.5
[M]+ 266.10498142 158.7
[M]- 266.10607858 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.