CID 3047846

Pimetremide

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CN(CC1=CN=CC=C1)C(=O)C(CO)C2=CC=CC=C2
InChI
InChI=1S/C16H18N2O2/c1-18(11-13-6-5-9-17-10-13)16(20)15(12-19)14-7-3-2-4-8-14/h2-10,15,19H,11-12H2,1H3
InChIKey
GWOKREXNFQNEHW-UHFFFAOYSA-N
Compound name
3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

270.13684 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 163.5
[M+Na]+ 293.12606 167.7
[M-H]- 269.12956 168.2
[M+NH4]+ 288.17066 177.3
[M+K]+ 309.10000 165.1
[M+H-H2O]+ 253.13410 154.4
[M+HCOO]- 315.13504 184.6
[M+CH3COO]- 329.15069 200.7
[M+Na-2H]- 291.11151 167.5
[M]+ 270.13629 163.2
[M]- 270.13739 163.2
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.