CID 460673

Chembl67540

Structural Information

Molecular Formula
C29H31N
SMILES
CC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)CN(C)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C29H31N/c1-22-12-16-26(17-13-22)29(2,3)27-18-14-23(15-19-27)20-30(4)21-25-10-7-9-24-8-5-6-11-28(24)25/h5-19H,20-21H2,1-4H3
InChIKey
DERNPZOGNLUFDO-UHFFFAOYSA-N
Compound name
N-methyl-1-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-N-(naphthalen-1-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.24564 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.25292 202.1
[M+Na]+ 416.23486 206.9
[M-H]- 392.23836 212.7
[M+NH4]+ 411.27946 213.9
[M+K]+ 432.20880 200.3
[M+H-H2O]+ 376.24290 191.0
[M+HCOO]- 438.24384 221.7
[M+CH3COO]- 452.25949 211.1
[M+Na-2H]- 414.22031 205.4
[M]+ 393.24509 202.9
[M]- 393.24619 202.9
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.