CID 14512392

6-cyano-9-(diethylamino)-5h-benzo[a]phenoxazin-5-one

Structural Information

Molecular Formula
C21H17N3O2
SMILES
CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C(=C3O2)C#N
InChI
InChI=1S/C21H17N3O2/c1-3-24(4-2)13-9-10-17-18(11-13)26-21-16(12-22)20(25)15-8-6-5-7-14(15)19(21)23-17/h5-11H,3-4H2,1-2H3
InChIKey
DOIVGWIGBQTTHP-UHFFFAOYSA-N
Compound name
9-(diethylamino)-5-oxobenzo[a]phenoxazine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

343.13208 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.13936 186.7
[M+Na]+ 366.12130 199.9
[M-H]- 342.12480 191.7
[M+NH4]+ 361.16590 199.1
[M+K]+ 382.09524 191.8
[M+H-H2O]+ 326.12934 170.5
[M+HCOO]- 388.13028 203.3
[M+CH3COO]- 402.14593 196.2
[M+Na-2H]- 364.10675 193.2
[M]+ 343.13153 187.1
[M]- 343.13263 187.1
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