CID 44226912

Ssj-183

Structural Information

Molecular Formula
C25H22N4O
SMILES
CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=NC5=CC=NC=C5)C=C3O2
InChI
InChI=1S/C25H22N4O/c1-3-29(4-2)18-9-10-21-23(15-18)30-24-16-22(27-17-11-13-26-14-12-17)19-7-5-6-8-20(19)25(24)28-21/h5-16H,3-4H2,1-2H3
InChIKey
HBSWMATYASLRBW-UHFFFAOYSA-N
Compound name
N,N-diethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9
Patents

394.17935 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.18663 197.2
[M+Na]+ 417.16857 216.7
[M+NH4]+ 412.21317 206.6
[M+K]+ 433.14251 205.2
[M-H]- 393.17207 207.0
[M+Na-2H]- 415.15402 207.7
[M]+ 394.17880 203.2
[M]- 394.17990 203.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe