CID 6436947

Ns00125058

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/b17-14+
InChIKey
RNQCBSLDBJGGLP-SAPNQHFASA-N
Compound name
2-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
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]+ 331.225416 185.9
[M+Na]+ 353.207358 191.1
[M-H]- 329.210864 190.4
[M+NH4]+ 348.251963 198.7
[M+K]+ 369.181298 184.3
[M+H-H2O]+ 313.215400 174.0
[M+HCOO]- 375.216341 204.1
[M+CH3COO]- 389.231991 224.0
[M+Na-2H]- 351.192806 188.2
[M]+ 330.21759142 183.2
[M]- 330.21868858 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.