CID 473743

2,4-diamino-5-[(2,5-dimethoxy-n-methylanilino)-methyl]thieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C16H19N5O2S
SMILES
CN(CC1=CSC2=NC(=NC(=C12)N)N)C3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C16H19N5O2S/c1-21(11-6-10(22-2)4-5-12(11)23-3)7-9-8-24-15-13(9)14(17)19-16(18)20-15/h4-6,8H,7H2,1-3H3,(H4,17,18,19,20)
InChIKey
HKEJZJWUISUEKZ-UHFFFAOYSA-N
Compound name
5-[(2,5-dimethoxy-N-methylanilino)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.12595 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13323 178.0
[M+Na]+ 368.11517 188.1
[M-H]- 344.11867 185.1
[M+NH4]+ 363.15977 192.1
[M+K]+ 384.08911 183.7
[M+H-H2O]+ 328.12321 169.3
[M+HCOO]- 390.12415 198.7
[M+CH3COO]- 404.13980 221.5
[M+Na-2H]- 366.10062 180.1
[M]+ 345.12540 184.3
[M]- 345.12650 184.3
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

No patent data available for this compound.