CID 189090

33524-62-8

Structural Information

Molecular Formula
C12H17N5OS
SMILES
C1COCCN1C2=NC(=NC3=C2SC=C3)NCCN
InChI
InChI=1S/C12H17N5OS/c13-2-3-14-12-15-9-1-8-19-10(9)11(16-12)17-4-6-18-7-5-17/h1,8H,2-7,13H2,(H,14,15,16)
InChIKey
ISFDRJXUWTUUMS-UHFFFAOYSA-N
Compound name
N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

21
Patents

279.1154 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12268 158.1
[M+Na]+ 302.10462 166.0
[M-H]- 278.10812 161.9
[M+NH4]+ 297.14922 171.5
[M+K]+ 318.07856 162.1
[M+H-H2O]+ 262.11266 149.5
[M+HCOO]- 324.11360 173.1
[M+CH3COO]- 338.12925 168.8
[M+Na-2H]- 300.09007 162.4
[M]+ 279.11485 157.8
[M]- 279.11595 157.8
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