CID 209967

Valeramide, n-(benzylamidino)-, monohydrochloride

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]+ 234.160096 156.5
[M+Na]+ 256.142038 160.2
[M-H]- 232.145544 160.2
[M+NH4]+ 251.186643 173.6
[M+K]+ 272.115978 158.1
[M+H-H2O]+ 216.150080 148.6
[M+HCOO]- 278.151021 182.2
[M+CH3COO]- 292.166671 200.2
[M+Na-2H]- 254.127486 160.3
[M]+ 233.15227142 154.9
[M]- 233.15336858 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.