CID 9570721

Usaf in-7

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CC(=O)/C(=N\O)/CN(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C18H20N2O2/c1-15(21)18(19-22)14-20(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,22H,12-14H2,1H3/b19-18-
InChIKey
KBDIIIBYNOLAFY-HNENSFHCSA-N
Compound name
(3Z)-4-(dibenzylamino)-3-hydroxyiminobutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15247 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 171.4
[M+Na]+ 319.14169 174.4
[M-H]- 295.14519 178.4
[M+NH4]+ 314.18629 185.6
[M+K]+ 335.11563 171.9
[M+H-H2O]+ 279.14973 162.2
[M+HCOO]- 341.15067 195.7
[M+CH3COO]- 355.16632 210.7
[M+Na-2H]- 317.12714 174.8
[M]+ 296.15192 171.7
[M]- 296.15302 171.7
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.