CID 338399

81684-72-2

Structural Information

Molecular Formula
C22H16N2O2
SMILES
CC1=CC2=C(C=C1C)N=CC3=C(N2)OC4=C(C3=O)C5=CC=CC=C5C=C4
InChI
InChI=1S/C22H16N2O2/c1-12-9-17-18(10-13(12)2)24-22-16(11-23-17)21(25)20-15-6-4-3-5-14(15)7-8-19(20)26-22/h3-11,24H,1-2H3
InChIKey
UNIPQSFXXYTMHM-UHFFFAOYSA-N
Compound name
18,19-dimethyl-13-oxa-15,22-diazapentacyclo[12.9.0.03,12.04,9.016,21]tricosa-1(14),3(12),4,6,8,10,16(21),17,19,22-decaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1212 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12848 182.3
[M+Na]+ 363.11042 195.2
[M-H]- 339.11392 189.1
[M+NH4]+ 358.15502 195.4
[M+K]+ 379.08436 192.2
[M+H-H2O]+ 323.11846 174.4
[M+HCOO]- 385.11940 197.9
[M+CH3COO]- 399.13505 193.3
[M+Na-2H]- 361.09587 191.2
[M]+ 340.12065 184.0
[M]- 340.12175 184.0
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.