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 156.5
[M+Na]+ 256.14204 160.2
[M-H]- 232.14554 160.2
[M+NH4]+ 251.18664 173.6
[M+K]+ 272.11598 158.1
[M+H-H2O]+ 216.15008 148.6
[M+HCOO]- 278.15102 182.2
[M+CH3COO]- 292.16667 200.2
[M+Na-2H]- 254.12749 160.3
[M]+ 233.15227 154.9
[M]- 233.15337 154.9
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.