CID 103059

64992-16-1

Structural Information

Molecular Formula
C19H28N3O2
SMILES
CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C19H28N3O2/c1-6-21(7-2)18-10-8-16(9-11-18)14-17(15-20)19(23)24-13-12-22(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3/q+1
InChIKey
RNQCBSLDBJGGLP-UHFFFAOYSA-N
Compound name
2-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.21814 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.22542 185.9
[M+Na]+ 353.20736 191.1
[M-H]- 329.21086 190.4
[M+NH4]+ 348.25196 198.7
[M+K]+ 369.18130 184.3
[M+H-H2O]+ 313.21540 174.0
[M+HCOO]- 375.21634 204.1
[M+CH3COO]- 389.23199 224.0
[M+Na-2H]- 351.19281 188.2
[M]+ 330.21759 183.2
[M]- 330.21869 183.2
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.