CID 336020

Nsc348967

Structural Information

Molecular Formula
C19H16N2O
SMILES
CC1(C2=CC=CN2C3=C(N1)C=C4C5=CC=CC=C5OC4=C3)C
InChI
InChI=1S/C19H16N2O/c1-19(2)18-8-5-9-21(18)15-11-17-13(10-14(15)20-19)12-6-3-4-7-16(12)22-17/h3-11,20H,1-2H3
InChIKey
WSWAHOJZZLGTMP-UHFFFAOYSA-N
Compound name
9,9-dimethyl-20-oxa-4,10-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1,3(11),5,7,12,14,16,18-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.12625 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13353 165.9
[M+Na]+ 311.11547 179.8
[M-H]- 287.11897 171.8
[M+NH4]+ 306.16007 187.2
[M+K]+ 327.08941 173.0
[M+H-H2O]+ 271.12351 158.4
[M+HCOO]- 333.12445 184.3
[M+CH3COO]- 347.14010 178.9
[M+Na-2H]- 309.10092 172.8
[M]+ 288.12570 170.4
[M]- 288.12680 170.4
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.