CID 99702

30121-10-9

Structural Information

Molecular Formula
C23H33NO
SMILES
CC(C)C(CCN(C(C)C)C(C)C)(C=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C23H33NO/c1-17(2)23(16-25,14-15-24(18(3)4)19(5)6)22-13-9-11-20-10-7-8-12-21(20)22/h7-13,16-19H,14-15H2,1-6H3
InChIKey
YSADAPOJPAONGZ-UHFFFAOYSA-N
Compound name
2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-naphthalen-1-ylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.25623 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.263506 188.0
[M+Na]+ 362.245448 190.8
[M-H]- 338.248954 192.4
[M+NH4]+ 357.290053 202.8
[M+K]+ 378.219388 188.1
[M+H-H2O]+ 322.253490 180.4
[M+HCOO]- 384.254431 205.0
[M+CH3COO]- 398.270081 224.3
[M+Na-2H]- 360.230896 188.0
[M]+ 339.25568142 190.9
[M]- 339.25677858 190.9
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.