CID 20383

4369-91-9

Structural Information

Molecular Formula
C17H23N7O2
SMILES
CCN(CC)C1=NC(=NC(=C1N=NC2=CC=C(C=C2)C(=O)OCC)N)N
InChI
InChI=1S/C17H23N7O2/c1-4-24(5-2)15-13(14(18)20-17(19)21-15)23-22-12-9-7-11(8-10-12)16(25)26-6-3/h7-10H,4-6H2,1-3H3,(H4,18,19,20,21)
InChIKey
TYKDUZBCZNUTDM-UHFFFAOYSA-N
Compound name
ethyl 4-[[2,4-diamino-6-(diethylamino)pyrimidin-5-yl]diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1913 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.19858 186.8
[M+Na]+ 380.18052 192.7
[M-H]- 356.18402 194.5
[M+NH4]+ 375.22512 197.1
[M+K]+ 396.15446 190.9
[M+H-H2O]+ 340.18856 175.2
[M+HCOO]- 402.18950 214.6
[M+CH3COO]- 416.20515 235.9
[M+Na-2H]- 378.16597 190.1
[M]+ 357.19075 189.6
[M]- 357.19185 189.6
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.