CID 135429898

78241-68-6

Structural Information

Molecular Formula
C22H13N5
SMILES
C1=CC=C(C=C1)C2=NC(=N)C3=NC4=C(C5=CC=CC6=C5C4=CC=C6)NC3=N2
InChI
InChI=1S/C22H13N5/c23-20-19-22(27-21(26-20)13-6-2-1-3-7-13)25-18-15-11-5-9-12-8-4-10-14(16(12)15)17(18)24-19/h1-11H,(H2,23,25,26,27)
InChIKey
GVUHZTTYZGRNIV-UHFFFAOYSA-N
Compound name
9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1171 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12438 180.4
[M+Na]+ 370.10632 193.6
[M-H]- 346.10982 185.2
[M+NH4]+ 365.15092 192.9
[M+K]+ 386.08026 182.8
[M+H-H2O]+ 330.11436 168.8
[M+HCOO]- 392.11530 198.1
[M+CH3COO]- 406.13095 190.6
[M+Na-2H]- 368.09177 191.3
[M]+ 347.11655 183.1
[M]- 347.11765 183.1
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.