CID 6435610

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

Structural Information

Molecular Formula
C17H20N2O
SMILES
CC1=NC\2=C(O1)CCC3=CC=CC=C3/C2=C/CCNC
InChI
InChI=1S/C17H20N2O/c1-12-19-17-15(8-5-11-18-2)14-7-4-3-6-13(14)9-10-16(17)20-12/h3-4,6-8,18H,5,9-11H2,1-2H3/b15-8-
InChIKey
KDHDEIJYDXCXNG-NVNXTCNLSA-N
Compound name
(3Z)-N-methyl-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

268.15756 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 162.6
[M+Na]+ 291.14678 169.6
[M-H]- 267.15028 168.6
[M+NH4]+ 286.19138 179.6
[M+K]+ 307.12072 168.9
[M+H-H2O]+ 251.15482 156.4
[M+HCOO]- 313.15576 182.2
[M+CH3COO]- 327.17141 174.1
[M+Na-2H]- 289.13223 167.6
[M]+ 268.15701 161.4
[M]- 268.15811 161.4
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.