CID 78190154

H-orn-betana carbonate salt

Structural Information

Molecular Formula
C15H19N3O
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)C(CCCN)N
InChI
InChI=1S/C15H19N3O/c16-9-3-6-14(17)15(19)18-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9,16-17H2,(H,18,19)
InChIKey
GOWRWGKBZOPGCT-UHFFFAOYSA-N
Compound name
2,5-diamino-N-naphthalen-2-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1528 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.160076 159.3
[M+Na]+ 280.142018 163.7
[M-H]- 256.145524 162.2
[M+NH4]+ 275.186623 175.6
[M+K]+ 296.115958 159.9
[M+H-H2O]+ 240.150060 151.8
[M+HCOO]- 302.151001 182.0
[M+CH3COO]- 316.166651 204.2
[M+Na-2H]- 278.127466 163.6
[M]+ 257.15225142 155.8
[M]- 257.15334858 155.8
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.