CID 56949

Brn 5578761

Structural Information

Molecular Formula
C11H17N5OS
SMILES
CC(=NNC(=O)CSC1=NC=NC(=C1)N(C)C)C
InChI
InChI=1S/C11H17N5OS/c1-8(2)14-15-10(17)6-18-11-5-9(16(3)4)12-7-13-11/h5,7H,6H2,1-4H3,(H,15,17)
InChIKey
SSYGESOAPOIYOP-UHFFFAOYSA-N
Compound name
2-[6-(dimethylamino)pyrimidin-4-yl]sulfanyl-N-(propan-2-ylideneamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1154 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12268 161.3
[M+Na]+ 290.10462 167.0
[M-H]- 266.10812 165.0
[M+NH4]+ 285.14922 176.1
[M+K]+ 306.07856 165.4
[M+H-H2O]+ 250.11266 152.1
[M+HCOO]- 312.11360 180.8
[M+CH3COO]- 326.12925 209.0
[M+Na-2H]- 288.09007 163.7
[M]+ 267.11485 164.9
[M]- 267.11595 164.9
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.