CID 335656

72499-61-7

Structural Information

Molecular Formula
C18H12N2O
SMILES
CC1=NC2=C(C=C3C(=C2)C4=CC=CC=C4O3)N5C1=CC=C5
InChI
InChI=1S/C18H12N2O/c1-11-15-6-4-8-20(15)16-10-18-13(9-14(16)19-11)12-5-2-3-7-17(12)21-18/h2-10H,1H3
InChIKey
HJZLPNKLBHLENA-UHFFFAOYSA-N
Compound name
9-methyl-20-oxa-4,10-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1,3(11),5,7,9,12,14,16,18-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.09497 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10225 159.4
[M+Na]+ 295.08419 174.9
[M-H]- 271.08769 167.3
[M+NH4]+ 290.12879 180.1
[M+K]+ 311.05813 169.1
[M+H-H2O]+ 255.09223 152.2
[M+HCOO]- 317.09317 182.4
[M+CH3COO]- 331.10882 174.1
[M+Na-2H]- 293.06964 168.2
[M]+ 272.09442 167.8
[M]- 272.09552 167.8
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

patents stripe