CID 76324566

[4-[carbamimidoyl-[(2e)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]amino]-1-carboxybutyl]-trimethylazanium

Structural Information

Molecular Formula
C19H37N4O3
SMILES
CC(=C)C(CC/C(=C/CN(CCCC(C(=O)O)[N+](C)(C)C)C(=N)N)/C)O
InChI
InChI=1S/C19H36N4O3/c1-14(2)17(24)10-9-15(3)11-13-22(19(20)21)12-7-8-16(18(25)26)23(4,5)6/h11,16-17,24H,1,7-10,12-13H2,2-6H3,(H3-,20,21,25,26)/p+1/b15-11+
InChIKey
AKACXVQTFMNJJA-RVDMUPIBSA-O
Compound name
[4-[carbamimidoyl-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]amino]-1-carboxybutyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.28656 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.29384 208.0
[M+Na]+ 392.27578 222.2
[M-H]- 368.27928 217.0
[M+NH4]+ 387.32038 213.7
[M+K]+ 408.24972 214.3
[M+H-H2O]+ 352.28382 187.0
[M+HCOO]- 414.28476 205.3
[M+CH3COO]- 428.30041 225.0
[M+Na-2H]- 390.26123 187.2
[M]+ 369.28601 199.1
[M]- 369.28711 199.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.