CID 57370656

177190-98-6

Structural Information

Molecular Formula
C15H23N2O
SMILES
C[N+](C)(C)CCCNC(=CC1=CC=CC=C1)C=O
InChI
InChI=1S/C15H23N2O/c1-17(2,3)11-7-10-16-15(13-18)12-14-8-5-4-6-9-14/h4-6,8-9,12-13,16H,7,10-11H2,1-3H3/q+1
InChIKey
BNUWOTWIBNSVOV-UHFFFAOYSA-N
Compound name
trimethyl-[3-[(3-oxo-1-phenylprop-1-en-2-yl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

247.18105 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.18833 158.5
[M+Na]+ 270.17027 162.7
[M-H]- 246.17377 162.9
[M+NH4]+ 265.21487 175.8
[M+K]+ 286.14421 154.6
[M+H-H2O]+ 230.17831 154.4
[M+HCOO]- 292.17925 182.2
[M+CH3COO]- 306.19490 195.5
[M+Na-2H]- 268.15572 166.5
[M]+ 247.18050 158.1
[M]- 247.18160 158.1
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.