CID 9574679

N'-(cyclododecylideneamino)pyridine-2-carboxamidine

Structural Information

Molecular Formula
C18H28N4
SMILES
C1CCCCCC(=N/N=C(/C2=CC=CC=N2)\N)CCCCC1
InChI
InChI=1S/C18H28N4/c19-18(17-14-10-11-15-20-17)22-21-16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-15H,1-9,12-13H2,(H2,19,22)
InChIKey
PJKQWMGUJZAGMQ-UHFFFAOYSA-N
Compound name
N'-(cyclododecylideneamino)pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.23138 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.23866 169.7
[M+Na]+ 323.22060 168.9
[M-H]- 299.22410 172.6
[M+NH4]+ 318.26520 179.6
[M+K]+ 339.19454 166.8
[M+H-H2O]+ 283.22864 162.5
[M+HCOO]- 345.22958 189.1
[M+CH3COO]- 359.24523 207.1
[M+Na-2H]- 321.20605 171.5
[M]+ 300.23083 156.5
[M]- 300.23193 156.5
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.