CID 473742

2,4-diaminothieno[2,3-d]pyrimidine der., py 890

Structural Information

Molecular Formula
C17H21N5O3S
SMILES
CN(CC1=CSC2=NC(=NC(=C12)N)N)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C17H21N5O3S/c1-22(10-5-11(23-2)14(25-4)12(6-10)24-3)7-9-8-26-16-13(9)15(18)20-17(19)21-16/h5-6,8H,7H2,1-4H3,(H4,18,19,20,21)
InChIKey
NQKCEVSOLYMKMH-UHFFFAOYSA-N
Compound name
5-[(3,4,5-trimethoxy-N-methylanilino)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

375.1365 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14378 186.2
[M+Na]+ 398.12572 196.2
[M-H]- 374.12922 193.3
[M+NH4]+ 393.17032 199.1
[M+K]+ 414.09966 192.3
[M+H-H2O]+ 358.13376 177.3
[M+HCOO]- 420.13470 206.5
[M+CH3COO]- 434.15035 228.0
[M+Na-2H]- 396.11117 187.2
[M]+ 375.13595 194.5
[M]- 375.13705 194.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.