CID 347588

Nsc406362

Structural Information

Molecular Formula
C24H18N2O
SMILES
C1=CC=C(C=C1)C2C3=CC=CC=C3C4=C(C5=CC=CC=C25)N(C=CC4=O)N
InChI
InChI=1S/C24H18N2O/c25-26-15-14-21(27)23-18-11-5-4-10-17(18)22(16-8-2-1-3-9-16)19-12-6-7-13-20(19)24(23)26/h1-15,22H,25H2
InChIKey
XXYAVDLDEKOVOI-UHFFFAOYSA-N
Compound name
3-amino-14-phenyl-3-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),4,8,10,12,15,17-octaen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1419 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14918 187.0
[M+Na]+ 373.13112 196.6
[M-H]- 349.13462 196.3
[M+NH4]+ 368.17572 200.6
[M+K]+ 389.10506 192.9
[M+H-H2O]+ 333.13916 179.2
[M+HCOO]- 395.14010 205.9
[M+CH3COO]- 409.15575 197.2
[M+Na-2H]- 371.11657 193.8
[M]+ 350.14135 184.2
[M]- 350.14245 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.