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
2
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]+ 271.144116 163.5
[M+Na]+ 293.126058 167.7
[M-H]- 269.129564 168.2
[M+NH4]+ 288.170663 177.3
[M+K]+ 309.099998 165.1
[M+H-H2O]+ 253.134100 154.4
[M+HCOO]- 315.135041 184.6
[M+CH3COO]- 329.150691 200.7
[M+Na-2H]- 291.111506 167.5
[M]+ 270.13629142 163.2
[M]- 270.13738858 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

literature stripe

Patent stripe

patents stripe