CID 5912855

Nsc630367

Structural Information

Molecular Formula
C33H33N4O3
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CC/C(=N\NC(=O)C[N+]3=CC=CC=C3)/CC(=O)C4=CC=CC=C4
InChI
InChI=1S/C33H32N4O3/c38-31(29-17-9-3-10-18-29)23-30(34-35-32(39)26-36-21-11-4-12-22-36)19-20-33(40)37(24-27-13-5-1-6-14-27)25-28-15-7-2-8-16-28/h1-18,21-22H,19-20,23-26H2/p+1/b34-30+
InChIKey
FOXODHDHPUGIGD-VBMGMRCRSA-O
Compound name
(4E)-N,N-dibenzyl-6-oxo-6-phenyl-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.25525 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.26253 235.8
[M+Na]+ 556.24447 232.6
[M-H]- 532.24797 246.5
[M+NH4]+ 551.28907 236.6
[M+K]+ 572.21841 222.4
[M+H-H2O]+ 516.25251 223.3
[M+HCOO]- 578.25345 255.7
[M+CH3COO]- 592.26910 249.7
[M+Na-2H]- 554.22992 238.1
[M]+ 533.25470 234.0
[M]- 533.25580 234.0
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.