CID 44994

1,5-diguanidinonaphthalene

Structural Information

Molecular Formula
C12H14N6
SMILES
C1=CC2=C(C=CC=C2N=C(N)N)C(=C1)N=C(N)N
InChI
InChI=1S/C12H14N6/c13-11(14)17-9-5-1-3-7-8(9)4-2-6-10(7)18-12(15)16/h1-6H,(H4,13,14,17)(H4,15,16,18)
InChIKey
BFYHKSIDYKHADH-UHFFFAOYSA-N
Compound name
2-[5-(diaminomethylideneamino)naphthalen-1-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12799 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13527 150.6
[M+Na]+ 265.11721 156.2
[M-H]- 241.12071 156.2
[M+NH4]+ 260.16181 167.6
[M+K]+ 281.09115 153.7
[M+H-H2O]+ 225.12525 142.5
[M+HCOO]- 287.12619 178.9
[M+CH3COO]- 301.14184 212.6
[M+Na-2H]- 263.10266 156.0
[M]+ 242.12744 144.1
[M]- 242.12854 144.1
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.