CID 49768109

N,n-diethyl-2-[(4-methoxyphenyl)methylsulfonyl]-6-vinyl-pyrimidin-4-amine

Structural Information

Molecular Formula
C18H23N3O3S
SMILES
CCN(CC)C1=NC(=NC(=C1)C=C)S(=O)(=O)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C18H23N3O3S/c1-5-15-12-17(21(6-2)7-3)20-18(19-15)25(22,23)13-14-8-10-16(24-4)11-9-14/h5,8-12H,1,6-7,13H2,2-4H3
InChIKey
PBJTVIYPHROASO-UHFFFAOYSA-N
Compound name
6-ethenyl-N,N-diethyl-2-[(4-methoxyphenyl)methylsulfonyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.14603 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15331 185.5
[M+Na]+ 384.13525 193.3
[M-H]- 360.13875 191.0
[M+NH4]+ 379.17985 196.4
[M+K]+ 400.10919 188.7
[M+H-H2O]+ 344.14329 175.9
[M+HCOO]- 406.14423 201.8
[M+CH3COO]- 420.15988 218.9
[M+Na-2H]- 382.12070 187.5
[M]+ 361.14548 192.3
[M]- 361.14658 192.3
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.