CID 376187

Nsc656721

Structural Information

Molecular Formula
C22H18N2O4
SMILES
C1CC2(CC(=O)NC3=CC=CC=C3C2=O)OC4=C1CC(=O)NC5=CC=CC=C54
InChI
InChI=1S/C22H18N2O4/c25-18-11-13-9-10-22(28-20(13)14-5-1-3-7-16(14)23-18)12-19(26)24-17-8-4-2-6-15(17)21(22)27/h1-8H,9-12H2,(H,23,25)(H,24,26)
InChIKey
VFOYYDABULZAOF-UHFFFAOYSA-N
Compound name
spiro[1,3-dihydro-1-benzazepine-4,2'-3,4,5,7-tetrahydropyrano[3,2-d][1]benzazepine]-2,5,6'-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.12665 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13393 191.4
[M+Na]+ 397.11587 200.9
[M-H]- 373.11937 198.0
[M+NH4]+ 392.16047 201.9
[M+K]+ 413.08981 197.9
[M+H-H2O]+ 357.12391 185.0
[M+HCOO]- 419.12485 199.7
[M+CH3COO]- 433.14050 198.6
[M+Na-2H]- 395.10132 195.1
[M]+ 374.12610 183.8
[M]- 374.12720 183.8
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.