CID 5387432

Nsc623620

Structural Information

Molecular Formula
C25H23N3O3
SMILES
CC(C1=CC=CC=C1)NC(=O)C(=O)N/N=C\2/CC(OC3=CC=CC=C23)C4=CC=CC=C4
InChI
InChI=1S/C25H23N3O3/c1-17(18-10-4-2-5-11-18)26-24(29)25(30)28-27-21-16-23(19-12-6-3-7-13-19)31-22-15-9-8-14-20(21)22/h2-15,17,23H,16H2,1H3,(H,26,29)(H,28,30)/b27-21-
InChIKey
GINWARCBZCIXQY-MEFGMAGPSA-N
Compound name
N'-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-N-(1-phenylethyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.17395 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.18123 199.3
[M+Na]+ 436.16317 201.2
[M-H]- 412.16667 210.2
[M+NH4]+ 431.20777 207.5
[M+K]+ 452.13711 198.1
[M+H-H2O]+ 396.17121 188.0
[M+HCOO]- 458.17215 219.6
[M+CH3COO]- 472.18780 233.6
[M+Na-2H]- 434.14862 202.9
[M]+ 413.17340 196.4
[M]- 413.17450 196.4
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.