CID 132909

Sdz sba 586

Structural Information

Molecular Formula
C28H29N
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)CN(C)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C28H29N/c1-28(2,25-13-5-4-6-14-25)26-18-16-22(17-19-26)20-29(3)21-24-12-9-11-23-10-7-8-15-27(23)24/h4-19H,20-21H2,1-3H3
InChIKey
IQSFCZRWXMEUDJ-UHFFFAOYSA-N
Compound name
N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-(2-phenylpropan-2-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

379.23 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.23728 197.3
[M+Na]+ 402.21922 201.7
[M-H]- 378.22272 207.7
[M+NH4]+ 397.26382 209.4
[M+K]+ 418.19316 195.2
[M+H-H2O]+ 362.22726 186.3
[M+HCOO]- 424.22820 217.3
[M+CH3COO]- 438.24385 206.4
[M+Na-2H]- 400.20467 201.9
[M]+ 379.22945 197.4
[M]- 379.23055 197.4
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