CID 55201

7h-indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-5-bromo-7-methyl-, oxalate, (+-)-(6-ars,10-ars)-

Structural Information

Molecular Formula
C14H15BrN2O
SMILES
CN1CCOC2C1CC3=C(NC4=CC=CC2=C34)Br
InChI
InChI=1S/C14H15BrN2O/c1-17-5-6-18-13-8-3-2-4-10-12(8)9(7-11(13)17)14(15)16-10/h2-4,11,13,16H,5-7H2,1H3
InChIKey
HKKPLJLAWPXTAT-UHFFFAOYSA-N
Compound name
10-bromo-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

306.03677 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04405 165.3
[M+Na]+ 329.02599 177.2
[M-H]- 305.02949 170.2
[M+NH4]+ 324.07059 184.8
[M+K]+ 344.99993 165.9
[M+H-H2O]+ 289.03403 164.7
[M+HCOO]- 351.03497 177.2
[M+CH3COO]- 365.05062 178.0
[M+Na-2H]- 327.01144 171.7
[M]+ 306.03622 182.8
[M]- 306.03732 182.8
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.