CID 3036172

N,n-didesmethyltamoxifen

Structural Information

Molecular Formula
C24H25NO
SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN)/C3=CC=CC=C3
InChI
InChI=1S/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23-
InChIKey
MCJKBWHDNUSJLW-VHXPQNKSSA-N
Compound name
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

43
Patents

343.1936 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.20088 186.8
[M+Na]+ 366.18282 190.0
[M-H]- 342.18632 194.7
[M+NH4]+ 361.22742 198.4
[M+K]+ 382.15676 183.7
[M+H-H2O]+ 326.19086 176.7
[M+HCOO]- 388.19180 207.7
[M+CH3COO]- 402.20745 215.5
[M+Na-2H]- 364.16827 188.1
[M]+ 343.19305 184.5
[M]- 343.19415 184.5
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.