CID 135903344

1,2-bis(1h-indol-3-yl)ethane-1,2-dione oxime

Structural Information

Molecular Formula
C18H14N4O2
SMILES
C1=CC=C2C(=C1)C(=CN2)/C(=N\O)/C(=N\O)/C3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H14N4O2/c23-21-17(13-9-19-15-7-3-1-5-11(13)15)18(22-24)14-10-20-16-8-4-2-6-12(14)16/h1-10,19-20,23-24H/b21-17-,22-18+
InChIKey
OZLBSPWLLFTACR-QGFZOGOGSA-N
Compound name
(NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.11166 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11894 168.2
[M+Na]+ 341.10088 176.3
[M-H]- 317.10438 173.3
[M+NH4]+ 336.14548 183.3
[M+K]+ 357.07482 170.0
[M+H-H2O]+ 301.10892 160.3
[M+HCOO]- 363.10986 190.6
[M+CH3COO]- 377.12551 179.0
[M+Na-2H]- 339.08633 173.8
[M]+ 318.11111 168.0
[M]- 318.11221 168.0
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.