CID 476861

Terameprocol

Structural Information

Molecular Formula
C22H30O4
SMILES
C[C@H](CC1=CC(=C(C=C1)OC)OC)[C@@H](C)CC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C22H30O4/c1-15(11-17-7-9-19(23-3)21(13-17)25-5)16(2)12-18-8-10-20(24-4)22(14-18)26-6/h7-10,13-16H,11-12H2,1-6H3/t15-,16+
InChIKey
ORQFDHFZSMXRLM-IYBDPMFKSA-N
Compound name
4-[(2S,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

54
References

645
Patents

358.21442 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.22170 188.5
[M+Na]+ 381.20364 194.4
[M-H]- 357.20714 195.0
[M+NH4]+ 376.24824 201.6
[M+K]+ 397.17758 192.3
[M+H-H2O]+ 341.21168 179.8
[M+HCOO]- 403.21262 208.9
[M+CH3COO]- 417.22827 220.3
[M+Na-2H]- 379.18909 187.1
[M]+ 358.21387 196.5
[M]- 358.21497 196.5
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