CID 23273491

N-methylthieno[3,2-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C7H7N3S
SMILES
CNC1=NC=NC2=C1SC=C2
InChI
InChI=1S/C7H7N3S/c1-8-7-6-5(2-3-11-6)9-4-10-7/h2-4H,1H3,(H,8,9,10)
InChIKey
AZPMALJVBUIZFS-UHFFFAOYSA-N
Compound name
N-methylthieno[3,2-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

165.03607 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04335 128.2
[M+Na]+ 188.02529 139.9
[M-H]- 164.02879 131.4
[M+NH4]+ 183.06989 150.0
[M+K]+ 203.99923 136.6
[M+H-H2O]+ 148.03333 121.9
[M+HCOO]- 210.03427 149.1
[M+CH3COO]- 224.04992 143.0
[M+Na-2H]- 186.01074 135.6
[M]+ 165.03552 131.7
[M]- 165.03662 131.7
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

patents stripe