CID 457285

Imidazolyl(naphthylmethyl)amine

Structural Information

Molecular Formula
C14H13N3
SMILES
C1=CC=C2C(=C1)C=CC=C2CNN3C=CN=C3
InChI
InChI=1S/C14H13N3/c1-2-7-14-12(4-1)5-3-6-13(14)10-16-17-9-8-15-11-17/h1-9,11,16H,10H2
InChIKey
CFELBTPUZGZOGU-UHFFFAOYSA-N
Compound name
N-(naphthalen-1-ylmethyl)imidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

223.11095 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 146.9
[M+Na]+ 246.10017 156.1
[M-H]- 222.10367 152.3
[M+NH4]+ 241.14477 164.9
[M+K]+ 262.07411 150.9
[M+H-H2O]+ 206.10821 138.0
[M+HCOO]- 268.10915 171.8
[M+CH3COO]- 282.12480 160.0
[M+Na-2H]- 244.08562 156.3
[M]+ 223.11040 147.8
[M]- 223.11150 147.8
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