CID 2733526

Tamoxifen

Structural Information

Molecular Formula
C26H29NO
SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3
InChI
InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
InChIKey
NKANXQFJJICGDU-QPLCGJKRSA-N
Compound name
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

21245
References

23920
Patents

371.2249 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.23218 195.6
[M+Na]+ 394.21412 197.9
[M-H]- 370.21762 204.9
[M+NH4]+ 389.25872 206.8
[M+K]+ 410.18806 193.0
[M+H-H2O]+ 354.22216 184.8
[M+HCOO]- 416.22310 216.8
[M+CH3COO]- 430.23875 225.2
[M+Na-2H]- 392.19957 196.0
[M]+ 371.22435 196.1
[M]- 371.22545 196.1
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