CID 11242495

(e,e)-lansamide i

Structural Information

Molecular Formula
C18H17NO
SMILES
CN(/C=C/C1=CC=CC=C1)C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14+
InChIKey
VJGRWRRIAJQNFU-SQIWNDBBSA-N
Compound name
(E)-N-methyl-3-phenyl-N-[(E)-2-phenylethenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

22
Patents

263.131 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13828 163.3
[M+Na]+ 286.12022 168.2
[M-H]- 262.12372 170.5
[M+NH4]+ 281.16482 179.6
[M+K]+ 302.09416 163.9
[M+H-H2O]+ 246.12826 154.9
[M+HCOO]- 308.12920 187.7
[M+CH3COO]- 322.14485 200.7
[M+Na-2H]- 284.10567 167.5
[M]+ 263.13045 162.7
[M]- 263.13155 162.7
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