CID 379208

2-amino-6-(1-naphthylamino)-3,4,5-pyridinetricarbonitrile

Structural Information

Molecular Formula
C18H10N6
SMILES
C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=C(C(=N3)N)C#N)C#N)C#N
InChI
InChI=1S/C18H10N6/c19-8-13-14(9-20)17(22)24-18(15(13)10-21)23-16-7-3-5-11-4-1-2-6-12(11)16/h1-7H,(H3,22,23,24)
InChIKey
GZXYOLIIVIQMEV-UHFFFAOYSA-N
Compound name
2-amino-6-(naphthalen-1-ylamino)pyridine-3,4,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.09668 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10396 185.3
[M+Na]+ 333.08590 193.5
[M-H]- 309.08940 187.8
[M+NH4]+ 328.13050 190.1
[M+K]+ 349.05984 187.0
[M+H-H2O]+ 293.09394 171.1
[M+HCOO]- 355.09488 189.8
[M+CH3COO]- 369.11053 186.8
[M+Na-2H]- 331.07135 183.0
[M]+ 310.09613 176.1
[M]- 310.09723 176.1
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.