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]+ 258.16008 159.3
[M+Na]+ 280.14202 163.7
[M-H]- 256.14552 162.2
[M+NH4]+ 275.18662 175.6
[M+K]+ 296.11596 159.9
[M+H-H2O]+ 240.15006 151.8
[M+HCOO]- 302.15100 182.0
[M+CH3COO]- 316.16665 204.2
[M+Na-2H]- 278.12747 163.6
[M]+ 257.15225 155.8
[M]- 257.15335 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.