CID 107218

2,2'-dihydroindigo

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C2C(=C1)C(=O)C(N2)C3C(=O)C4=CC=CC=C4N3
InChI
InChI=1S/C16H12N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,13-14,17-18H
InChIKey
JOTRJOWDDJFASP-UHFFFAOYSA-N
Compound name
2-(3-oxo-1,2-dihydroindol-2-yl)-1,2-dihydroindol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

264.08987 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.097146 159.6
[M+Na]+ 287.079088 169.0
[M-H]- 263.082594 163.7
[M+NH4]+ 282.123693 177.8
[M+K]+ 303.053028 162.1
[M+H-H2O]+ 247.087130 152.6
[M+HCOO]- 309.088071 176.7
[M+CH3COO]- 323.103721 171.0
[M+Na-2H]- 285.064536 161.0
[M]+ 264.08932142 156.2
[M]- 264.09041858 156.2
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