CID 3074881

Pteridine-2,4,7-triamine, 6-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-

Structural Information

Molecular Formula
C18H22N8O
SMILES
C1CCN(C1)CCOC2=CC=C(C=C2)C3=NC4=C(N=C(N=C4N=C3N)N)N
InChI
InChI=1S/C18H22N8O/c19-15-13(22-14-16(20)24-18(21)25-17(14)23-15)11-3-5-12(6-4-11)27-10-9-26-7-1-2-8-26/h3-6H,1-2,7-10H2,(H6,19,20,21,23,24,25)
InChIKey
TVLOSKCGVYPQJK-UHFFFAOYSA-N
Compound name
6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pteridine-2,4,7-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19165 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19893 185.7
[M+Na]+ 389.18087 193.1
[M-H]- 365.18437 189.3
[M+NH4]+ 384.22547 192.5
[M+K]+ 405.15481 185.9
[M+H-H2O]+ 349.18891 173.6
[M+HCOO]- 411.18985 202.5
[M+CH3COO]- 425.20550 193.4
[M+Na-2H]- 387.16632 188.4
[M]+ 366.19110 181.8
[M]- 366.19220 181.8
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.