CID 135423620

Benzo[a]phenoxazin-7-ium, 5,9-diamino-, acetate

Structural Information

Molecular Formula
C16H11N3O
SMILES
C1=CC=C2C(=C1)C(=CC3=C2N=C4C=CC(=N)C=C4O3)N
InChI
InChI=1S/C16H11N3O/c17-9-5-6-13-14(7-9)20-15-8-12(18)10-3-1-2-4-11(10)16(15)19-13/h1-8,17H,18H2
InChIKey
QSFBNJFFCSWAQO-UHFFFAOYSA-N
Compound name
9-iminobenzo[a]phenoxazin-5-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

295
References

842
Patents

261.0902 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09748 156.9
[M+Na]+ 284.07942 174.8
[M+NH4]+ 279.12402 167.0
[M+K]+ 300.05336 165.7
[M-H]- 260.08292 164.2
[M+Na-2H]- 282.06487 165.4
[M]+ 261.08965 161.8
[M]- 261.09075 161.8
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