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: 74
Patents: 331.16846 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	332.175736	180.0
[M+Na]+	354.157678	190.9
[M-H]-	330.161184	187.5
[M+NH4]+	349.202283	195.1
[M+K]+	370.131618	185.6
[M+H-H2O]+	314.165720	169.9
[M+HCOO]-	376.166661	202.5
[M+CH3COO]-	390.182311	191.8
[M+Na-2H]-	352.143126	190.1
[M]+	331.16791142	185.5
[M]-	331.16900858	185.5

Literature stripe

literature stripe

Patent stripe

patents stripe