CID 53644

(6-ars,10-ars)-4,6,6a,8,9,10a-hexahydro-7-methyl-7h-indolo(3,4-gh)(1,4)benzoxazine hcl

Structural Information

Molecular Formula
C14H16N2O
SMILES
CN1CCOC2C1CC3=CNC4=CC=CC2=C34
InChI
InChI=1S/C14H16N2O/c1-16-5-6-17-14-10-3-2-4-11-13(10)9(8-15-11)7-12(14)16/h2-4,8,12,14-15H,5-7H2,1H3
InChIKey
VWJKGTFOQGCXGH-UHFFFAOYSA-N
Compound name
6-methyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12627 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 149.4
[M+Na]+ 251.11549 158.1
[M-H]- 227.11899 151.4
[M+NH4]+ 246.16009 168.1
[M+K]+ 267.08943 153.7
[M+H-H2O]+ 211.12353 141.8
[M+HCOO]- 273.12447 163.3
[M+CH3COO]- 287.14012 160.9
[M+Na-2H]- 249.10094 156.2
[M]+ 228.12572 148.0
[M]- 228.12682 148.0
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.