CID 460674

Chembl66547

Structural Information

Molecular Formula
C28H27N
SMILES
CN(CC1=CC=C(C=C1)C2(CC2)C3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C28H27N/c1-29(21-24-10-7-9-23-8-5-6-13-27(23)24)20-22-14-16-26(17-15-22)28(18-19-28)25-11-3-2-4-12-25/h2-17H,18-21H2,1H3
InChIKey
KGGDMTHPRFTNKP-UHFFFAOYSA-N
Compound name
N-methyl-N-(naphthalen-1-ylmethyl)-1-[4-(1-phenylcyclopropyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

377.21436 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22164 189.5
[M+Na]+ 400.20358 196.2
[M-H]- 376.20708 203.1
[M+NH4]+ 395.24818 198.9
[M+K]+ 416.17752 190.9
[M+H-H2O]+ 360.21162 178.7
[M+HCOO]- 422.21256 211.9
[M+CH3COO]- 436.22821 199.2
[M+Na-2H]- 398.18903 194.7
[M]+ 377.21381 191.2
[M]- 377.21491 191.2
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.