CID 58662

101651-92-7

Structural Information

Molecular Formula
C19H24ClN5O2
SMILES
CCN(CC)CCCC(C)N1C2=C(C=C(C=C2)Cl)N=C3C1=NC(=O)NC3=O
InChI
InChI=1S/C19H24ClN5O2/c1-4-24(5-2)10-6-7-12(3)25-15-9-8-13(20)11-14(15)21-16-17(25)22-19(27)23-18(16)26/h8-9,11-12H,4-7,10H2,1-3H3,(H,23,26,27)
InChIKey
XTRPGNLBZMRDGL-UHFFFAOYSA-N
Compound name
7-chloro-10-[5-(diethylamino)pentan-2-yl]benzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.16187 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.16915 193.1
[M+Na]+ 412.15109 202.8
[M-H]- 388.15459 193.0
[M+NH4]+ 407.19569 202.1
[M+K]+ 428.12503 195.8
[M+H-H2O]+ 372.15913 182.8
[M+HCOO]- 434.16007 203.3
[M+CH3COO]- 448.17572 226.2
[M+Na-2H]- 410.13654 196.6
[M]+ 389.16132 199.4
[M]- 389.16242 199.4
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.