CID 194255

Oxazine 750

Structural Information

Molecular Formula
C24H23N3O
SMILES
CCN=C1C=C2C(=NC3=C(O2)C4=C5C(=C3)CCCN5CCC4)C6=CC=CC=C61
InChI
InChI=1S/C24H23N3O/c1-2-25-19-14-21-22(17-9-4-3-8-16(17)19)26-20-13-15-7-5-11-27-12-6-10-18(23(15)27)24(20)28-21/h3-4,8-9,13-14H,2,5-7,10-12H2,1H3
InChIKey
ZYJGPXJRLUYMRP-UHFFFAOYSA-N
Compound name
N-ethyl-3-oxa-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

891
Patents

369.1841 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19138 190.9
[M+Na]+ 392.17332 209.3
[M+NH4]+ 387.21792 201.8
[M+K]+ 408.14726 197.5
[M-H]- 368.17682 198.5
[M+Na-2H]- 390.15877 196.0
[M]+ 369.18355 196.1
[M]- 369.18465 196.1
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