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
3
Annotation Hits

1
References

193
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 180.0
[M+Na]+ 354.15768 190.9
[M-H]- 330.16118 187.5
[M+NH4]+ 349.20228 195.1
[M+K]+ 370.13162 185.6
[M+H-H2O]+ 314.16572 169.9
[M+HCOO]- 376.16666 202.5
[M+CH3COO]- 390.18231 191.8
[M+Na-2H]- 352.14313 190.1
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.