CID 18041

2933-23-5

Structural Information

Molecular Formula
C21H31N2
SMILES
CC(C)[N+](C)(CCN(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C21H31N2/c1-18(2)23(5,19(3)4)17-16-22(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3/q+1
InChIKey
TUTDFAVWYKJQJZ-UHFFFAOYSA-N
Compound name
methyl-[2-(N-phenylanilino)ethyl]-di(propan-2-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.24872 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.25600 178.5
[M+Na]+ 334.23794 180.5
[M-H]- 310.24144 186.7
[M+NH4]+ 329.28254 193.2
[M+K]+ 350.21188 172.9
[M+H-H2O]+ 294.24598 172.3
[M+HCOO]- 356.24692 200.4
[M+CH3COO]- 370.26257 214.1
[M+Na-2H]- 332.22339 183.8
[M]+ 311.24817 178.3
[M]- 311.24927 178.3
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.