CID 216793

37724-47-3

Structural Information

Molecular Formula

C₁₁H₁₄N₄S

SMILES

CN1CCN(CC1)C2=C3C=CSC3=NC=N2

InChI

InChI=1S/C11H14N4S/c1-14-3-5-15(6-4-14)10-9-2-7-16-11(9)13-8-12-10/h2,7-8H,3-6H2,1H3

InChIKey

UAVFTOOOCCDRMZ-UHFFFAOYSA-N

Compound name

4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 234.09392 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.10120	150.2
[M+Na]+	257.08314	160.5
[M-H]-	233.08664	152.9
[M+NH4]+	252.12774	166.4
[M+K]+	273.05708	155.8
[M+H-H2O]+	217.09118	141.6
[M+HCOO]-	279.09212	163.4
[M+CH3COO]-	293.10777	162.0
[M+Na-2H]-	255.06859	153.2
[M]+	234.09337	150.4
[M]-	234.09447	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe