CID 1080352

1-phenethylamino-3h-naphtho[1,2,3-de]quinoline-2,7-dione

Structural Information

Molecular Formula
C24H18N2O2
SMILES
C1=CC=C(C=C1)CCNC2=C3C4=CC=CC=C4C(=O)C5=C3C(=CC=C5)NC2=O
InChI
InChI=1S/C24H18N2O2/c27-23-17-10-5-4-9-16(17)21-20-18(23)11-6-12-19(20)26-24(28)22(21)25-14-13-15-7-2-1-3-8-15/h1-12,25H,13-14H2,(H,26,28)
InChIKey
XASCINRGTHLHGM-UHFFFAOYSA-N
Compound name
16-(2-phenylethylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

21
Patents

366.13684 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14412 185.9
[M+Na]+ 389.12606 194.1
[M-H]- 365.12956 191.7
[M+NH4]+ 384.17066 198.7
[M+K]+ 405.10000 185.8
[M+H-H2O]+ 349.13410 175.0
[M+HCOO]- 411.13504 202.9
[M+CH3COO]- 425.15069 195.1
[M+Na-2H]- 387.11151 193.6
[M]+ 366.13629 185.9
[M]- 366.13739 185.9
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.