CID 1755965

Pyramidatine

Structural Information

Molecular Formula
C20H22N2O2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NCCCCNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H22N2O2/c23-19(14-13-17-9-3-1-4-10-17)21-15-7-8-16-22-20(24)18-11-5-2-6-12-18/h1-6,9-14H,7-8,15-16H2,(H,21,23)(H,22,24)/b14-13+
InChIKey
XYVZRTYPQHUZGY-BUHFOSPRSA-N
Compound name
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

26
Patents

322.16812 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 179.2
[M+Na]+ 345.15734 181.7
[M-H]- 321.16084 184.4
[M+NH4]+ 340.20194 191.8
[M+K]+ 361.13128 176.7
[M+H-H2O]+ 305.16538 169.8
[M+HCOO]- 367.16632 202.5
[M+CH3COO]- 381.18197 211.3
[M+Na-2H]- 343.14279 182.3
[M]+ 322.16757 178.0
[M]- 322.16867 178.0
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