CID 3036172

Desdimethyltamoxifen

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

39
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

literature stripe

Patent stripe

patents stripe