CID 40949

4h-benzo(5,6)cyclohept(1,2-d)oxazole, 9,10-dihydro-6-chloro-2-methyl-4-(1-methyl-4-piperidylidene)-, fumarate (1:1)

Structural Information

Molecular Formula
C19H21ClN2O
SMILES
CC1=NC2=C(O1)CCC3=C(C2=C4CCN(CC4)C)C=C(C=C3)Cl
InChI
InChI=1S/C19H21ClN2O/c1-12-21-19-17(23-12)6-4-13-3-5-15(20)11-16(13)18(19)14-7-9-22(2)10-8-14/h3,5,11H,4,6-10H2,1-2H3
InChIKey
OOGWZOVSQYZMAL-UHFFFAOYSA-N
Compound name
13-chloro-5-methyl-2-(1-methylpiperidin-4-ylidene)-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13425 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14153 179.0
[M+Na]+ 351.12347 187.7
[M-H]- 327.12697 185.8
[M+NH4]+ 346.16807 193.3
[M+K]+ 367.09741 184.6
[M+H-H2O]+ 311.13151 170.4
[M+HCOO]- 373.13245 188.4
[M+CH3COO]- 387.14810 188.8
[M+Na-2H]- 349.10892 179.1
[M]+ 328.13370 175.5
[M]- 328.13480 175.5
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.