CID 19142

Moxastine

Structural Information

Molecular Formula
C18H23NO
SMILES
CC(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN(C)C
InChI
InChI=1S/C18H23NO/c1-18(20-15-14-19(2)3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKey
BBIMHFSPNXQFAH-UHFFFAOYSA-N
Compound name
2-(1,1-diphenylethoxy)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

493
Patents

269.17798 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 165.6
[M+Na]+ 292.16720 170.1
[M-H]- 268.17070 172.9
[M+NH4]+ 287.21180 181.9
[M+K]+ 308.14114 167.6
[M+H-H2O]+ 252.17524 157.3
[M+HCOO]- 314.17618 188.8
[M+CH3COO]- 328.19183 204.8
[M+Na-2H]- 290.15265 171.8
[M]+ 269.17743 167.5
[M]- 269.17853 167.5
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