CID 93339

Oxazine 170 perchlorate

Structural Information

Molecular Formula
C21H21N3O
SMILES
CCNC1=CC2=C(C3=CC=CC=C31)N=C4C=C(C(=NCC)C=C4O2)C
InChI
InChI=1S/C21H21N3O/c1-4-22-16-11-19-18(10-13(16)3)24-21-15-9-7-6-8-14(15)17(23-5-2)12-20(21)25-19/h6-12,23H,4-5H2,1-3H3
InChIKey
ROZAKCFKSGKMPN-UHFFFAOYSA-N
Compound name
N-ethyl-9-ethylimino-10-methylbenzo[a]phenoxazin-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

129
Patents

331.16846 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17574 180.3
[M+Na]+ 354.15768 198.3
[M+NH4]+ 349.20228 190.0
[M+K]+ 370.13162 187.6
[M-H]- 330.16118 188.1
[M+Na-2H]- 352.14313 188.1
[M]+ 331.16791 185.5
[M]- 331.16901 185.5
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