CID 58664

101651-94-9

Structural Information

Molecular Formula
C14H14ClN5O2
SMILES
CN(C)CCN1C2=C(C=C(C=C2)Cl)N=C3C1=NC(=O)NC3=O
InChI
InChI=1S/C14H14ClN5O2/c1-19(2)5-6-20-10-4-3-8(15)7-9(10)16-11-12(20)17-14(22)18-13(11)21/h3-4,7H,5-6H2,1-2H3,(H,18,21,22)
InChIKey
DGGCMCKOXHUZTQ-UHFFFAOYSA-N
Compound name
7-chloro-10-[2-(dimethylamino)ethyl]benzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0836 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09088 171.4
[M+Na]+ 342.07282 183.8
[M-H]- 318.07632 172.2
[M+NH4]+ 337.11742 183.5
[M+K]+ 358.04676 177.3
[M+H-H2O]+ 302.08086 162.0
[M+HCOO]- 364.08180 184.4
[M+CH3COO]- 378.09745 182.0
[M+Na-2H]- 340.05827 178.5
[M]+ 319.08305 176.6
[M]- 319.08415 176.6
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.