CID 3059067

Brn 5564309

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC(C)C12C3=NC4=CC=CC=C4N3CC(O1)CO2
InChI
InChI=1S/C14H16N2O2/c1-9(2)14-13-15-11-5-3-4-6-12(11)16(13)7-10(18-14)8-17-14/h3-6,9-10H,7-8H2,1-2H3
InChIKey
WLJKVKOOUBZWQD-UHFFFAOYSA-N
Compound name
1-propan-2-yl-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 152.7
[M+Na]+ 267.11041 163.0
[M-H]- 243.11391 156.7
[M+NH4]+ 262.15501 174.2
[M+K]+ 283.08435 161.4
[M+H-H2O]+ 227.11845 146.5
[M+HCOO]- 289.11939 168.3
[M+CH3COO]- 303.13504 165.6
[M+Na-2H]- 265.09586 159.3
[M]+ 244.12064 156.8
[M]- 244.12174 156.8
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.