CID 3084811

1-propanaminium, n-(2-(ethylphenylamino)ethyl)-3-(formylamino)-n,n-dimethyl-, chloride

Structural Information

Molecular Formula
C16H28N3O
SMILES
CCN(CC[N+](C)(C)CCCNC=O)C1=CC=CC=C1
InChI
InChI=1S/C16H27N3O/c1-4-18(16-9-6-5-7-10-16)12-14-19(2,3)13-8-11-17-15-20/h5-7,9-10,15H,4,8,11-14H2,1-3H3/p+1
InChIKey
XEXSBLWWRKYQMJ-UHFFFAOYSA-O
Compound name
2-(N-ethylanilino)ethyl-(3-formamidopropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

278.22324 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.23052 167.0
[M+Na]+ 301.21246 169.8
[M-H]- 277.21596 172.3
[M+NH4]+ 296.25706 183.2
[M+K]+ 317.18640 163.0
[M+H-H2O]+ 261.22050 161.7
[M+HCOO]- 323.22144 192.6
[M+CH3COO]- 337.23709 207.9
[M+Na-2H]- 299.19791 175.2
[M]+ 278.22269 168.8
[M]- 278.22379 168.8
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

patents stripe