CID 209967

20801-67-6

Structural Information

Molecular Formula
C13H19N3O
SMILES
CCCCC(=O)NC(=NCC1=CC=CC=C1)N
InChI
InChI=1S/C13H19N3O/c1-2-3-9-12(17)16-13(14)15-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H3,14,15,16,17)
InChIKey
XLKHSHPSKDRBNP-UHFFFAOYSA-N
Compound name
N-(N'-benzylcarbamimidoyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15282 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16010 157.1
[M+Na]+ 256.14204 165.5
[M+NH4]+ 251.18664 163.9
[M+K]+ 272.11598 159.5
[M-H]- 232.14554 159.9
[M+Na-2H]- 254.12749 162.4
[M]+ 233.15227 158.6
[M]- 233.15337 158.6
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.