CID 435113

Ns00052262

Structural Information

Molecular Formula
C18H13N3O2
SMILES
CC(=O)N=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)N)OC2=C1
InChI
InChI=1S/C18H13N3O2/c1-10(22)20-11-6-7-15-16(8-11)23-17-9-14(19)12-4-2-3-5-13(12)18(17)21-15/h2-9H,19H2,1H3
InChIKey
VPKBNFVPXKODST-UHFFFAOYSA-N
Compound name
N-(5-aminobenzo[a]phenoxazin-9-ylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

303.10077 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.108046 168.1
[M+Na]+ 326.089988 179.3
[M-H]- 302.093494 175.5
[M+NH4]+ 321.134593 183.6
[M+K]+ 342.063928 174.9
[M+H-H2O]+ 286.098030 158.7
[M+HCOO]- 348.098971 190.5
[M+CH3COO]- 362.114621 180.5
[M+Na-2H]- 324.075436 178.6
[M]+ 303.10022142 171.5
[M]- 303.10131858 171.5
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