CID 71220

Tolpadol

Structural Information

Molecular Formula
C28H26N4O2
SMILES
CC1=CC=CC=C1C(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)C4=CC=CC=C4C
InChI
InChI=1S/C28H26N4O2/c1-19-7-3-5-9-23(19)27(33)31-25(21-11-15-29-16-12-21)26(22-13-17-30-18-14-22)32-28(34)24-10-6-4-8-20(24)2/h3-18,25-26H,1-2H3,(H,31,33)(H,32,34)
InChIKey
XOCZGIFMFBFPGQ-UHFFFAOYSA-N
Compound name
2-methyl-N-[2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

789
Patents

450.20557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.21285 209.8
[M+Na]+ 473.19479 211.6
[M-H]- 449.19829 218.6
[M+NH4]+ 468.23939 213.2
[M+K]+ 489.16873 205.5
[M+H-H2O]+ 433.20283 196.5
[M+HCOO]- 495.20377 227.6
[M+CH3COO]- 509.21942 215.9
[M+Na-2H]- 471.18024 211.3
[M]+ 450.20502 207.3
[M]- 450.20612 207.3
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

patents stripe