CID 135580646

3,3'-(o-phenylenedinitrilo)di-2-butanone dioxime

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CC(=NC1=CC=CC=C1N=C(/C(=N/O)/C)C)/C(=N/O)/C
InChI
InChI=1S/C14H18N4O2/c1-9(11(3)17-19)15-13-7-5-6-8-14(13)16-10(2)12(4)18-20/h5-8,19-20H,1-4H3/b15-9?,16-10?,17-11+,18-12+
InChIKey
QCUGIBXQAJFGGX-ZAPUQSGWSA-N
Compound name
(NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-ylidene]amino]phenyl]iminobutan-2-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14297 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 166.4
[M+Na]+ 297.13219 173.4
[M+NH4]+ 292.17679 171.6
[M+K]+ 313.10613 169.3
[M-H]- 273.13569 168.6
[M+Na-2H]- 295.11764 170.5
[M]+ 274.14242 167.4
[M]- 274.14352 167.4
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.