CID 363246

Nsc627992

Structural Information

Molecular Formula
C19H15ClN4O2
SMILES
CC1=CC2=C(C=C1C)N(C3=NC(=O)N(C(=O)C3=N2)C)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15ClN4O2/c1-10-8-14-15(9-11(10)2)24(13-6-4-12(20)5-7-13)17-16(21-14)18(25)23(3)19(26)22-17/h4-9H,1-3H3
InChIKey
DBYQBYKIEWYPPF-UHFFFAOYSA-N
Compound name
10-(4-chlorophenyl)-3,7,8-trimethylbenzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.08835 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.095626 189.1
[M+Na]+ 389.077568 204.1
[M-H]- 365.081074 193.4
[M+NH4]+ 384.122173 199.6
[M+K]+ 405.051508 195.5
[M+H-H2O]+ 349.085610 177.7
[M+HCOO]- 411.086551 201.0
[M+CH3COO]- 425.102201 199.6
[M+Na-2H]- 387.063016 193.5
[M]+ 366.08780142 195.5
[M]- 366.08889858 195.5
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.