CID 106641

Einecs 268-540-1

Structural Information

Molecular Formula
C22H36N2
SMILES
CCCCCCC(=NC1=CC=C(C=C1)N=C(C)CCCCCC)C
InChI
InChI=1S/C22H36N2/c1-5-7-9-11-13-19(3)23-21-15-17-22(18-16-21)24-20(4)14-12-10-8-6-2/h15-18H,5-14H2,1-4H3
InChIKey
JWJHHWVHDVQCJL-UHFFFAOYSA-N
Compound name
N-[4-(octan-2-ylideneamino)phenyl]octan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.28784 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.29512 189.8
[M+Na]+ 351.27706 191.9
[M-H]- 327.28056 194.1
[M+NH4]+ 346.32166 204.7
[M+K]+ 367.25100 188.2
[M+H-H2O]+ 311.28510 180.8
[M+HCOO]- 373.28604 213.4
[M+CH3COO]- 387.30169 225.3
[M+Na-2H]- 349.26251 189.2
[M]+ 328.28729 194.2
[M]- 328.28839 194.2
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

patents stripe