CID 3056902

73864-66-1

Structural Information

Molecular Formula
C16H20N8O
SMILES
CN(C)CCOC1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N
InChI
InChI=1S/C16H20N8O/c1-24(2)7-8-25-10-5-3-9(4-6-10)11-13(17)21-15-12(20-11)14(18)22-16(19)23-15/h3-6H,7-8H2,1-2H3,(H6,17,18,19,21,22,23)
InChIKey
NEJRHHUPXMMSOD-UHFFFAOYSA-N
Compound name
6-[4-[2-(dimethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

340.176 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18328 182.5
[M+Na]+ 363.16522 191.0
[M-H]- 339.16872 186.0
[M+NH4]+ 358.20982 190.8
[M+K]+ 379.13916 185.9
[M+H-H2O]+ 323.17326 171.2
[M+HCOO]- 385.17420 203.4
[M+CH3COO]- 399.18985 191.6
[M+Na-2H]- 361.15067 188.2
[M]+ 340.17545 182.3
[M]- 340.17655 182.3
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

patents stripe