CID 45053516

N(2-(4-isopropyl-ph)-1-(((4-pyridinylmethyl)amino)carbonyl)vinyl)-4-me-benzamide

Structural Information

Molecular Formula
C26H27N3O2
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)C(C)C)/C(=O)NCC3=CC=NC=C3
InChI
InChI=1S/C26H27N3O2/c1-18(2)22-10-6-20(7-11-22)16-24(26(31)28-17-21-12-14-27-15-13-21)29-25(30)23-8-4-19(3)5-9-23/h4-16,18H,17H2,1-3H3,(H,28,31)(H,29,30)/b24-16-
InChIKey
AGKUWNGRODHXHN-JLPGSUDCSA-N
Compound name
4-methyl-N-[(Z)-3-oxo-1-(4-propan-2-ylphenyl)-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.21033 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.21761 203.9
[M+Na]+ 436.19955 206.0
[M-H]- 412.20305 211.1
[M+NH4]+ 431.24415 211.1
[M+K]+ 452.17349 200.5
[M+H-H2O]+ 396.20759 192.6
[M+HCOO]- 458.20853 223.0
[M+CH3COO]- 472.22418 232.0
[M+Na-2H]- 434.18500 203.2
[M]+ 413.20978 202.3
[M]- 413.21088 202.3
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

No patent data available for this compound.