CID 71330516

94681-93-3

Structural Information

Molecular Formula
C20H32N2
SMILES
CCCCCC(=NC1=CC=C(C=C1)N=C(C)CCCCC)C
InChI
InChI=1S/C20H32N2/c1-5-7-9-11-17(3)21-19-13-15-20(16-14-19)22-18(4)12-10-8-6-2/h13-16H,5-12H2,1-4H3
InChIKey
ZLFGKJQADVGIFQ-UHFFFAOYSA-N
Compound name
N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

300.25656 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.26384 180.7
[M+Na]+ 323.24578 183.6
[M-H]- 299.24928 185.4
[M+NH4]+ 318.29038 196.7
[M+K]+ 339.21972 180.5
[M+H-H2O]+ 283.25382 172.1
[M+HCOO]- 345.25476 204.9
[M+CH3COO]- 359.27041 219.3
[M+Na-2H]- 321.23123 181.2
[M]+ 300.25601 184.4
[M]- 300.25711 184.4
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

No patent data available for this compound.