CID 26844

14722-49-7

Structural Information

Molecular Formula
C21H30N2
SMILES
CCC(=N)C(CC)(CCCN(C)C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C21H30N2/c1-5-20(22)21(6-2,15-10-16-23(3)4)19-14-9-12-17-11-7-8-13-18(17)19/h7-9,11-14,22H,5-6,10,15-16H2,1-4H3
InChIKey
NDMNMXOYZVRPOY-UHFFFAOYSA-N
Compound name
4-ethyl-5-imino-N,N-dimethyl-4-naphthalen-1-ylheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2409 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24818 180.0
[M+Na]+ 333.23012 183.4
[M-H]- 309.23362 184.5
[M+NH4]+ 328.27472 195.8
[M+K]+ 349.20406 179.5
[M+H-H2O]+ 293.23816 172.1
[M+HCOO]- 355.23910 200.5
[M+CH3COO]- 369.25475 219.6
[M+Na-2H]- 331.21557 183.7
[M]+ 310.24035 181.3
[M]- 310.24145 181.3
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.