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 166.1
[M+Na]+ 297.13219 169.9
[M-H]- 273.13569 172.2
[M+NH4]+ 292.17679 182.1
[M+K]+ 313.10613 169.5
[M+H-H2O]+ 257.14023 157.7
[M+HCOO]- 319.14117 193.3
[M+CH3COO]- 333.15682 214.3
[M+Na-2H]- 295.11764 168.1
[M]+ 274.14242 166.1
[M]- 274.14352 166.1
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.