CID 278460

Nsc128093

Structural Information

Molecular Formula
C22H30N2
SMILES
C=CCC(C1=CCCCC1)C(=N)C(CC=C)(C#N)C2=CCCCC2
InChI
InChI=1S/C22H30N2/c1-3-11-20(18-12-7-5-8-13-18)21(24)22(17-23,16-4-2)19-14-9-6-10-15-19/h3-4,12,14,20,24H,1-2,5-11,13,15-16H2
InChIKey
QWMQIKGXVYZEGB-UHFFFAOYSA-N
Compound name
2,4-di(cyclohexen-1-yl)-3-imino-2-prop-2-enylhept-6-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2409 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.24818 187.8
[M+Na]+ 345.23012 190.1
[M-H]- 321.23362 190.7
[M+NH4]+ 340.27472 199.1
[M+K]+ 361.20406 182.5
[M+H-H2O]+ 305.23816 173.5
[M+HCOO]- 367.23910 198.8
[M+CH3COO]- 381.25475 222.0
[M+Na-2H]- 343.21557 185.9
[M]+ 322.24035 175.0
[M]- 322.24145 175.0
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.