CID 43884

62055-10-1

Structural Information

Molecular Formula
C18H32N4O2
SMILES
C[N+](C)(C)CCNC(=O)C1=CC=CC=C1C(=O)NCC[N+](C)(C)C
InChI
InChI=1S/C18H30N4O2/c1-21(2,3)13-11-19-17(23)15-9-7-8-10-16(15)18(24)20-12-14-22(4,5)6/h7-10H,11-14H2,1-6H3/p+2
InChIKey
MJGRXTZDZKYDJQ-UHFFFAOYSA-P
Compound name
trimethyl-[2-[[2-[2-(trimethylazaniumyl)ethylcarbamoyl]benzoyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.25253 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.25981 175.3
[M+Na]+ 359.24175 177.6
[M-H]- 335.24525 181.1
[M+NH4]+ 354.28635 188.9
[M+K]+ 375.21569 165.9
[M+H-H2O]+ 319.24979 173.2
[M+HCOO]- 381.25073 198.3
[M+CH3COO]- 395.26638 213.6
[M+Na-2H]- 357.22720 185.3
[M]+ 336.25198 174.8
[M]- 336.25308 174.8
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

No patent data available for this compound.