CID 171396576

Cs-1098815

Structural Information

Molecular Formula
C20H26N4O2
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)/C=C(/C#N)\C(=O)NCCOCCN
InChI
InChI=1S/C20H26N4O2/c21-5-9-26-10-6-23-20(25)18(14-22)13-15-11-16-3-1-7-24-8-2-4-17(12-15)19(16)24/h11-13H,1-10,21H2,(H,23,25)/b18-13-
InChIKey
YUQLBLSTDHGJOQ-AQTBWJFISA-N
Compound name
(Z)-N-[2-(2-aminoethoxy)ethyl]-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-2-cyanoprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.20557 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21285 186.2
[M+Na]+ 377.19479 190.4
[M-H]- 353.19829 185.8
[M+NH4]+ 372.23939 197.1
[M+K]+ 393.16873 183.1
[M+H-H2O]+ 337.20283 171.3
[M+HCOO]- 399.20377 196.8
[M+CH3COO]- 413.21942 228.8
[M+Na-2H]- 375.18024 187.4
[M]+ 354.20502 177.5
[M]- 354.20612 177.5
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.