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]+ 283.180496 166.9
[M+Na]+ 305.162438 173.6
[M-H]- 281.165944 174.1
[M+NH4]+ 300.207043 183.9
[M+K]+ 321.136378 173.9
[M+H-H2O]+ 265.170480 160.3
[M+HCOO]- 327.171421 186.6
[M+CH3COO]- 341.187071 178.4
[M+Na-2H]- 303.147886 170.6
[M]+ 282.17267142 167.0
[M]- 282.17376858 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.