CID 7275189

2-((1-naphthylamino)methylene)malononitrile

Structural Information

Molecular Formula
C14H9N3
SMILES
C1=CC=C2C(=C1)C=CC=C2NC=C(C#N)C#N
InChI
InChI=1S/C14H9N3/c15-8-11(9-16)10-17-14-7-3-5-12-4-1-2-6-13(12)14/h1-7,10,17H
InChIKey
POZVXDRKRDCCHY-UHFFFAOYSA-N
Compound name
2-[(naphthalen-1-ylamino)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.07965 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08693 167.9
[M+Na]+ 242.06887 177.8
[M-H]- 218.07237 171.0
[M+NH4]+ 237.11347 180.1
[M+K]+ 258.04281 170.5
[M+H-H2O]+ 202.07691 152.4
[M+HCOO]- 264.07785 179.8
[M+CH3COO]- 278.09350 174.5
[M+Na-2H]- 240.05432 170.3
[M]+ 219.07910 158.4
[M]- 219.08020 158.4
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

patents stripe