CID 111759

68921-73-3

Structural Information

Molecular Formula
C15H19N3O2
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCNCCN)O
InChI
InChI=1S/C15H19N3O2/c16-5-6-17-7-8-18-15(20)13-9-11-3-1-2-4-12(11)10-14(13)19/h1-4,9-10,17,19H,5-8,16H2,(H,18,20)
InChIKey
BCZJKICNRYAPSV-UHFFFAOYSA-N
Compound name
N-[2-(2-aminoethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 161.0
[M+Na]+ 296.13696 166.0
[M-H]- 272.14046 163.4
[M+NH4]+ 291.18156 176.5
[M+K]+ 312.11090 161.9
[M+H-H2O]+ 256.14500 153.6
[M+HCOO]- 318.14594 184.0
[M+CH3COO]- 332.16159 204.9
[M+Na-2H]- 294.12241 166.5
[M]+ 273.14719 159.1
[M]- 273.14829 159.1
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.