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
2
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 185.3
[M+Na]+ 392.17332 193.2
[M-H]- 368.17682 190.5
[M+NH4]+ 387.21792 198.3
[M+K]+ 408.14726 186.5
[M+H-H2O]+ 352.18136 171.8
[M+HCOO]- 414.18230 197.4
[M+CH3COO]- 428.19795 193.9
[M+Na-2H]- 390.15877 194.5
[M]+ 369.18355 185.4
[M]- 369.18465 185.4
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

patents stripe