CID 452515

83726-81-2

Structural Information

Molecular Formula
C11H15N5S
SMILES
CN(C)CCNC1=NC=CC(=N1)C2=NC=CS2
InChI
InChI=1S/C11H15N5S/c1-16(2)7-5-14-11-13-4-3-9(15-11)10-12-6-8-17-10/h3-4,6,8H,5,7H2,1-2H3,(H,13,14,15)
InChIKey
OGULKBKBRJVWDZ-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.10481 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11209 153.5
[M+Na]+ 272.09403 161.5
[M-H]- 248.09753 158.2
[M+NH4]+ 267.13863 169.2
[M+K]+ 288.06797 158.3
[M+H-H2O]+ 232.10207 144.1
[M+HCOO]- 294.10301 173.3
[M+CH3COO]- 308.11866 199.0
[M+Na-2H]- 270.07948 157.3
[M]+ 249.10426 156.4
[M]- 249.10536 156.4
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.