CID 22733773

227000-85-3

Structural Information

Molecular Formula
C23H32ClNO
SMILES
CC(C)C(C1=CC=CC=C1)N(C(C)(C)C)OC(C)C2=CC=C(C=C2)CCl
InChI
InChI=1S/C23H32ClNO/c1-17(2)22(21-10-8-7-9-11-21)25(23(4,5)6)26-18(3)20-14-12-19(16-24)13-15-20/h7-15,17-18,22H,16H2,1-6H3
InChIKey
WZYBDTCNEIULNZ-UHFFFAOYSA-N
Compound name
N-tert-butyl-N-[1-[4-(chloromethyl)phenyl]ethoxy]-2-methyl-1-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

373.21725 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.22453 193.5
[M+Na]+ 396.20647 196.9
[M-H]- 372.20997 200.3
[M+NH4]+ 391.25107 206.7
[M+K]+ 412.18041 193.0
[M+H-H2O]+ 356.21451 185.6
[M+HCOO]- 418.21545 207.5
[M+CH3COO]- 432.23110 226.1
[M+Na-2H]- 394.19192 192.5
[M]+ 373.21670 198.2
[M]- 373.21780 198.2
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

patents stripe