CID 99122

30121-09-6

Structural Information

Molecular Formula
C25H29NO
SMILES
CC(C)C(CCN(C)CC1=CC=CC=C1)(C=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C25H29NO/c1-20(2)25(19-27,16-17-26(3)18-21-10-5-4-6-11-21)24-15-9-13-22-12-7-8-14-23(22)24/h4-15,19-20H,16-18H2,1-3H3
InChIKey
CITSUQFRWNXLLO-UHFFFAOYSA-N
Compound name
2-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-naphthalen-1-ylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.2249 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.232176 191.7
[M+Na]+ 382.214118 195.2
[M-H]- 358.217624 199.1
[M+NH4]+ 377.258723 205.0
[M+K]+ 398.188058 190.4
[M+H-H2O]+ 342.222160 182.2
[M+HCOO]- 404.223101 211.2
[M+CH3COO]- 418.238751 224.2
[M+Na-2H]- 380.199566 195.3
[M]+ 359.22435142 193.6
[M]- 359.22544858 193.6
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.