CID 90999

23892-53-7

Structural Information

Molecular Formula
C27H33N3O
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CCNC(CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H33N3O/c1-31-26-14-12-25(13-15-26)30-20-18-29(19-21-30)17-16-28-27(24-10-6-3-7-11-24)22-23-8-4-2-5-9-23/h2-15,27-28H,16-22H2,1H3
InChIKey
BTNCTRGBVDXCCR-UHFFFAOYSA-N
Compound name
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-diphenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.26236 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.26964 204.1
[M+Na]+ 438.25158 204.6
[M-H]- 414.25508 211.3
[M+NH4]+ 433.29618 209.4
[M+K]+ 454.22552 197.6
[M+H-H2O]+ 398.25962 190.2
[M+HCOO]- 460.26056 219.4
[M+CH3COO]- 474.27621 209.8
[M+Na-2H]- 436.23703 205.1
[M]+ 415.26181 199.3
[M]- 415.26291 199.3
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.