CID 9923998

Ec 700-655-9

Structural Information

Molecular Formula
C23H33NO
SMILES
CC1=CC(=C(C=C1)OC)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2
InChI
InChI=1S/C23H33NO/c1-17(2)24(18(3)4)15-14-21(20-10-8-7-9-11-20)22-16-19(5)12-13-23(22)25-6/h7-13,16-18,21H,14-15H2,1-6H3
InChIKey
CCXFTVHDCYNKJH-UHFFFAOYSA-N
Compound name
3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

99
Patents

339.25623 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.26351 188.5
[M+Na]+ 362.24545 191.4
[M-H]- 338.24895 195.4
[M+NH4]+ 357.29005 202.2
[M+K]+ 378.21939 188.9
[M+H-H2O]+ 322.25349 179.5
[M+HCOO]- 384.25443 208.5
[M+CH3COO]- 398.27008 224.1
[M+Na-2H]- 360.23090 186.2
[M]+ 339.25568 191.6
[M]- 339.25678 191.6
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