CID 3011005

A-184441

Structural Information

Molecular Formula
C19H19N3O
SMILES
C1=CC(=CC=C1CCOC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N
InChI
InChI=1S/C19H19N3O/c20-17-6-1-13(2-7-17)9-10-23-18-8-5-14-11-16(19(21)22)4-3-15(14)12-18/h1-8,11-12H,9-10,20H2,(H3,21,22)
InChIKey
CYAKDUYWXNOMML-UHFFFAOYSA-N
Compound name
6-[2-(4-aminophenyl)ethoxy]naphthalene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

305.1528 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.16008 170.9
[M+Na]+ 328.14202 176.9
[M-H]- 304.14552 177.4
[M+NH4]+ 323.18662 185.2
[M+K]+ 344.11596 171.2
[M+H-H2O]+ 288.15006 162.2
[M+HCOO]- 350.15100 194.5
[M+CH3COO]- 364.16665 214.4
[M+Na-2H]- 326.12747 175.6
[M]+ 305.15225 167.8
[M]- 305.15335 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe