CID 388080

Nsc682543

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CC1(C2CCC(O1)(C3=NC4=CC=CC=C4N3C2=O)C)C
InChI
InChI=1S/C16H18N2O2/c1-15(2)10-8-9-16(3,20-15)14-17-11-6-4-5-7-12(11)18(14)13(10)19/h4-7,10H,8-9H2,1-3H3
InChIKey
YSUDGUUUHPPPSP-UHFFFAOYSA-N
Compound name
1,13,13-trimethyl-14-oxa-3,10-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2,4,6,8-tetraen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.13684 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 168.1
[M+Na]+ 293.12606 181.7
[M-H]- 269.12956 172.5
[M+NH4]+ 288.17066 189.5
[M+K]+ 309.10000 174.5
[M+H-H2O]+ 253.13410 164.4
[M+HCOO]- 315.13504 179.0
[M+CH3COO]- 329.15069 178.7
[M+Na-2H]- 291.11151 177.3
[M]+ 270.13629 171.6
[M]- 270.13739 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.