CID 135435193

7-(10-methyl-9,10-dihydrophenanthren-9-yl)pteridin-4-ol

Structural Information

Molecular Formula
C21H16N4O
SMILES
CC1C(C2=CC=CC=C2C3=CC=CC=C13)C4=CN=C5C(=O)NC=NC5=N4
InChI
InChI=1S/C21H16N4O/c1-12-13-6-2-3-7-14(13)15-8-4-5-9-16(15)18(12)17-10-22-19-20(25-17)23-11-24-21(19)26/h2-12,18H,1H3,(H,23,24,25,26)
InChIKey
JIAUJMFLRAMLGF-UHFFFAOYSA-N
Compound name
7-(10-methyl-9,10-dihydrophenanthren-9-yl)-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.13242 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13970 184.7
[M+Na]+ 363.12164 195.1
[M-H]- 339.12514 187.3
[M+NH4]+ 358.16624 194.4
[M+K]+ 379.09558 185.6
[M+H-H2O]+ 323.12968 171.9
[M+HCOO]- 385.13062 197.0
[M+CH3COO]- 399.14627 193.2
[M+Na-2H]- 361.10709 192.3
[M]+ 340.13187 183.0
[M]- 340.13297 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.