CID 72941954

926281-74-5 (free base)

Structural Information

Molecular Formula
C21H25N
SMILES
CC(C)(C)C#C/C=C\CN(C)CC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C21H25N/c1-21(2,3)14-8-5-9-15-22(4)17-18-12-13-19-10-6-7-11-20(19)16-18/h5-7,9-13,16H,15,17H2,1-4H3/b9-5-
InChIKey
FMMRYPSASRYXIN-UITAMQMPSA-N
Compound name
(Z)-N,6,6-trimethyl-N-(naphthalen-2-ylmethyl)hept-2-en-4-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.1987 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20598 180.3
[M+Na]+ 314.18792 188.5
[M-H]- 290.19142 183.1
[M+NH4]+ 309.23252 195.4
[M+K]+ 330.16186 180.7
[M+H-H2O]+ 274.19596 167.1
[M+HCOO]- 336.19690 195.2
[M+CH3COO]- 350.21255 215.2
[M+Na-2H]- 312.17337 183.0
[M]+ 291.19815 176.1
[M]- 291.19925 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe