CID 44994

Guanidine, 1,5-naphthalenedi-

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]+ 243.135266 150.6
[M+Na]+ 265.117208 156.2
[M-H]- 241.120714 156.2
[M+NH4]+ 260.161813 167.6
[M+K]+ 281.091148 153.7
[M+H-H2O]+ 225.125250 142.5
[M+HCOO]- 287.126191 178.9
[M+CH3COO]- 301.141841 212.6
[M+Na-2H]- 263.102656 156.0
[M]+ 242.12744142 144.1
[M]- 242.12853858 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.