CID 452519

4-(4-setnme2-ph)-5-me-pyrimidine

Structural Information

Molecular Formula
C15H19N3S
SMILES
CC1=CN=CN=C1C2=CC=C(C=C2)SCCN(C)C
InChI
InChI=1S/C15H19N3S/c1-12-10-16-11-17-15(12)13-4-6-14(7-5-13)19-9-8-18(2)3/h4-7,10-11H,8-9H2,1-3H3
InChIKey
GXKGXIXGQSTWAY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[4-(5-methylpyrimidin-4-yl)phenyl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.12997 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13725 162.5
[M+Na]+ 296.11919 170.4
[M-H]- 272.12269 167.9
[M+NH4]+ 291.16379 177.2
[M+K]+ 312.09313 165.9
[M+H-H2O]+ 256.12723 153.2
[M+HCOO]- 318.12817 180.3
[M+CH3COO]- 332.14382 204.5
[M+Na-2H]- 294.10464 165.5
[M]+ 273.12942 166.4
[M]- 273.13052 166.4
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.