CID 6434475

4h-benzo(5,6)cyclohept(1,2-d)oxazole, 9,10-dihydro-4-(3-(dimethylamino)propylidene)-2-methyl-, monohydrochloride, (z)-

Structural Information

Molecular Formula
C18H22N2O
SMILES
CC1=NC\2=C(O1)CCC3=CC=CC=C3/C2=C\CCN(C)C
InChI
InChI=1S/C18H22N2O/c1-13-19-18-16(9-6-12-20(2)3)15-8-5-4-7-14(15)10-11-17(18)21-13/h4-5,7-9H,6,10-12H2,1-3H3/b16-9+
InChIKey
JWPHIVFCTLFVNG-CXUHLZMHSA-N
Compound name
(3E)-N,N-dimethyl-3-(5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 166.9
[M+Na]+ 305.16244 173.6
[M-H]- 281.16594 174.1
[M+NH4]+ 300.20704 183.9
[M+K]+ 321.13638 173.9
[M+H-H2O]+ 265.17048 160.3
[M+HCOO]- 327.17142 186.6
[M+CH3COO]- 341.18707 178.4
[M+Na-2H]- 303.14789 170.6
[M]+ 282.17267 167.0
[M]- 282.17377 167.0
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.