CID 39779

1-naphthaleneacetonitrile, alpha-(2-diethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride

Structural Information

Molecular Formula
C23H30N2
SMILES
CCN(CC)CCC(CC=C(C)C)(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C23H30N2/c1-5-25(6-2)17-16-23(18-24,15-14-19(3)4)22-13-9-11-20-10-7-8-12-21(20)22/h7-14H,5-6,15-17H2,1-4H3
InChIKey
NZIWUVYNHNIBKQ-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-5-methyl-2-naphthalen-1-ylhex-4-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2409 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.24818 192.2
[M+Na]+ 357.23012 198.4
[M-H]- 333.23362 195.5
[M+NH4]+ 352.27472 205.6
[M+K]+ 373.20406 191.7
[M+H-H2O]+ 317.23816 177.9
[M+HCOO]- 379.23910 207.5
[M+CH3COO]- 393.25475 229.2
[M+Na-2H]- 355.21557 193.4
[M]+ 334.24035 189.0
[M]- 334.24145 189.0
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.