CID 170491

Einecs 255-312-1

Structural Information

Molecular Formula
C27H41ClN4O
SMILES
CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)NN=C(C#N)C#N)Cl
InChI
InChI=1S/C27H41ClN4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-27-19-18-24(21-26(27)28)31-32-25(22-29)23-30/h18-19,21,31H,2-17,20H2,1H3
InChIKey
ULRBLBJOUQEKLL-UHFFFAOYSA-N
Compound name
2-[(3-chloro-4-octadecoxyphenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.29688 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.30416 204.7
[M+Na]+ 495.28610 210.1
[M-H]- 471.28960 206.9
[M+NH4]+ 490.33070 210.9
[M+K]+ 511.26004 203.7
[M+H-H2O]+ 455.29414 187.9
[M+HCOO]- 517.29508 213.2
[M+CH3COO]- 531.31073 256.0
[M+Na-2H]- 493.27155 201.6
[M]+ 472.29633 202.6
[M]- 472.29743 202.6
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.