CID 198845

3458-62-6

Structural Information

Molecular Formula
C16H18N4O2S
SMILES
CN(C)CC1=C(N=C2N1C=CC=N2)C3=CC=C(C=C3)S(=O)(=O)C
InChI
InChI=1S/C16H18N4O2S/c1-19(2)11-14-15(18-16-17-9-4-10-20(14)16)12-5-7-13(8-6-12)23(3,21)22/h4-10H,11H2,1-3H3
InChIKey
BTQUYBVNDNTQHI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.11505 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12233 177.1
[M+Na]+ 353.10427 188.4
[M-H]- 329.10777 183.7
[M+NH4]+ 348.14887 191.2
[M+K]+ 369.07821 183.7
[M+H-H2O]+ 313.11231 168.6
[M+HCOO]- 375.11325 194.6
[M+CH3COO]- 389.12890 211.6
[M+Na-2H]- 351.08972 181.3
[M]+ 330.11450 184.4
[M]- 330.11560 184.4
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.