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]+ 329.141526 179.0
[M+Na]+ 351.123468 187.7
[M-H]- 327.126974 185.8
[M+NH4]+ 346.168073 193.3
[M+K]+ 367.097408 184.6
[M+H-H2O]+ 311.131510 170.4
[M+HCOO]- 373.132451 188.4
[M+CH3COO]- 387.148101 188.8
[M+Na-2H]- 349.108916 179.1
[M]+ 328.13370142 175.5
[M]- 328.13479858 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.