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]+ 360.23218 191.7
[M+Na]+ 382.21412 195.2
[M-H]- 358.21762 199.1
[M+NH4]+ 377.25872 205.0
[M+K]+ 398.18806 190.4
[M+H-H2O]+ 342.22216 182.2
[M+HCOO]- 404.22310 211.2
[M+CH3COO]- 418.23875 224.2
[M+Na-2H]- 380.19957 195.3
[M]+ 359.22435 193.6
[M]- 359.22545 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.