CID 362448

Nsc626395

Structural Information

Molecular Formula
C24H22N2O2
SMILES
C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6
InChI
InChI=1S/C24H22N2O2/c27-23-20-16-11-5-4-10-15(16)19-17-12-6-7-13-18(17)25-22(19)21(20)24(28)26(23)14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16,20-21,25H,4-5,10-11H2
InChIKey
YQDIZAHKTNEAGG-UHFFFAOYSA-N
Compound name
4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.16812 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.175396 188.2
[M+Na]+ 393.157338 196.2
[M-H]- 369.160844 194.4
[M+NH4]+ 388.201943 204.1
[M+K]+ 409.131278 187.4
[M+H-H2O]+ 353.165380 179.0
[M+HCOO]- 415.166321 199.9
[M+CH3COO]- 429.181971 196.9
[M+Na-2H]- 391.142786 186.8
[M]+ 370.16757142 184.2
[M]- 370.16866858 184.2
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.