CID 495029

Nsc641392

Structural Information

Molecular Formula
C24H17N3O4
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5C6C(C42C7C5C(=O)NC7=O)C(=O)NC6=O
InChI
InChI=1S/C24H17N3O4/c28-20-16-13-10-14-12-8-4-5-9-15(12)27(11-6-2-1-3-7-11)24(14,18(16)22(30)25-20)19-17(13)21(29)26-23(19)31/h1-10,13,16-19H,(H,25,28,30)(H,26,29,31)
InChIKey
ZYSAVSIKQFUIOT-UHFFFAOYSA-N
Compound name
2-phenyl-2,14,19-triazahexacyclo[9.5.5.01,9.03,8.012,16.017,21]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.12192 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.12920 184.0
[M+Na]+ 434.11114 190.9
[M-H]- 410.11464 187.9
[M+NH4]+ 429.15574 201.5
[M+K]+ 450.08508 183.1
[M+H-H2O]+ 394.11918 175.2
[M+HCOO]- 456.12012 189.4
[M+CH3COO]- 470.13577 191.6
[M+Na-2H]- 432.09659 182.1
[M]+ 411.12137 183.7
[M]- 411.12247 183.7
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.