CID 58682

101652-09-9

Structural Information

Molecular Formula
C18H24N5O3
SMILES
CCN(CC)CC[N+]1=C2C(=NC3=C1C=C(C=C3)OC)C(=O)NC(=O)N2C
InChI
InChI=1S/C18H23N5O3/c1-5-22(6-2)9-10-23-14-11-12(26-4)7-8-13(14)19-15-16(24)20-18(25)21(3)17(15)23/h7-8,11H,5-6,9-10H2,1-4H3/p+1
InChIKey
MLRMUADJIDEPEU-UHFFFAOYSA-O
Compound name
10-[2-(diethylamino)ethyl]-8-methoxy-1-methylbenzo[g]pteridin-10-ium-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18793 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19521 188.6
[M+Na]+ 381.17715 199.6
[M-H]- 357.18065 190.0
[M+NH4]+ 376.22175 198.1
[M+K]+ 397.15109 188.5
[M+H-H2O]+ 341.18519 180.6
[M+HCOO]- 403.18613 205.8
[M+CH3COO]- 417.20178 214.9
[M+Na-2H]- 379.16260 196.9
[M]+ 358.18738 194.7
[M]- 358.18848 194.7
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.