CID 120867

Brn 0492972

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CN(C)CCCC1(C2=CC=CC=C2C(=O)NC3=CC=CC=C31)O
InChI
InChI=1S/C19H22N2O2/c1-21(2)13-7-12-19(23)15-9-4-3-8-14(15)18(22)20-17-11-6-5-10-16(17)19/h3-6,8-11,23H,7,12-13H2,1-2H3,(H,20,22)
InChIKey
PKENIWKBEUBNJO-UHFFFAOYSA-N
Compound name
11-[3-(dimethylamino)propyl]-11-hydroxy-5H-benzo[c][1]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 173.0
[M+Na]+ 333.15734 179.3
[M-H]- 309.16084 177.0
[M+NH4]+ 328.20194 188.8
[M+K]+ 349.13128 178.5
[M+H-H2O]+ 293.16538 166.3
[M+HCOO]- 355.16632 189.9
[M+CH3COO]- 369.18197 182.8
[M+Na-2H]- 331.14279 178.7
[M]+ 310.16757 170.6
[M]- 310.16867 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.