CID 160610

2064-15-5

Structural Information

Molecular Formula
C20H26N2O
SMILES
CC(CN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O)CN(C)C
InChI
InChI=1S/C20H26N2O/c1-15(13-21(2)3)14-22-19-7-5-4-6-16(19)8-9-17-12-18(23)10-11-20(17)22/h4-7,10-12,15,23H,8-9,13-14H2,1-3H3
InChIKey
FQJSSUOYVSEYPF-UHFFFAOYSA-N
Compound name
11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

2
Patents

310.2045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 173.6
[M+Na]+ 333.19372 178.4
[M-H]- 309.19722 178.4
[M+NH4]+ 328.23832 188.2
[M+K]+ 349.16766 178.7
[M+H-H2O]+ 293.20176 166.7
[M+HCOO]- 355.20270 190.3
[M+CH3COO]- 369.21835 183.3
[M+Na-2H]- 331.17917 177.1
[M]+ 310.20395 171.6
[M]- 310.20505 171.6
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