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]+ 367.09563 189.1
[M+Na]+ 389.07757 204.1
[M-H]- 365.08107 193.4
[M+NH4]+ 384.12217 199.6
[M+K]+ 405.05151 195.5
[M+H-H2O]+ 349.08561 177.7
[M+HCOO]- 411.08655 201.0
[M+CH3COO]- 425.10220 199.6
[M+Na-2H]- 387.06302 193.5
[M]+ 366.08780 195.5
[M]- 366.08890 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.