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]+ 335.248176 192.2
[M+Na]+ 357.230118 198.4
[M-H]- 333.233624 195.5
[M+NH4]+ 352.274723 205.6
[M+K]+ 373.204058 191.7
[M+H-H2O]+ 317.238160 177.9
[M+HCOO]- 379.239101 207.5
[M+CH3COO]- 393.254751 229.2
[M+Na-2H]- 355.215566 193.4
[M]+ 334.24035142 189.0
[M]- 334.24144858 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.