CID 163437

Einecs 285-005-8

Structural Information

Molecular Formula
C22H21N3O
SMILES
CCN=C1C=C2C(=NC3=C(O2)C=C(C=C3)NC4=CC=CC=C4C)C=C1C
InChI
InChI=1S/C22H21N3O/c1-4-23-19-13-22-20(11-15(19)3)25-18-10-9-16(12-21(18)26-22)24-17-8-6-5-7-14(17)2/h5-13,24H,4H2,1-3H3
InChIKey
AVGOJIBLEFBGQT-UHFFFAOYSA-N
Compound name
7-ethylimino-8-methyl-N-(2-methylphenyl)phenoxazin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

343.16846 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17574 184.8
[M+Na]+ 366.15768 194.3
[M-H]- 342.16118 194.2
[M+NH4]+ 361.20228 197.9
[M+K]+ 382.13162 188.9
[M+H-H2O]+ 326.16572 173.9
[M+HCOO]- 388.16666 207.2
[M+CH3COO]- 402.18231 196.0
[M+Na-2H]- 364.14313 192.7
[M]+ 343.16791 187.9
[M]- 343.16901 187.9
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