CID 3025515

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

Structural Information

Molecular Formula
C18H24N8O
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N
InChI
InChI=1S/C18H24N8O/c1-3-26(4-2)9-10-27-12-7-5-11(6-8-12)13-15(19)23-17-14(22-13)16(20)24-18(21)25-17/h5-8H,3-4,9-10H2,1-2H3,(H6,19,20,21,23,24,25)
InChIKey
WYZBXZZUBRYGRC-UHFFFAOYSA-N
Compound name
6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.2073 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21458 190.7
[M+Na]+ 391.19652 198.3
[M-H]- 367.20002 193.8
[M+NH4]+ 386.24112 197.8
[M+K]+ 407.17046 192.9
[M+H-H2O]+ 351.20456 179.0
[M+HCOO]- 413.20550 211.0
[M+CH3COO]- 427.22115 232.7
[M+Na-2H]- 389.18197 195.5
[M]+ 368.20675 191.1
[M]- 368.20785 191.1
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.