CID 365095

Nsc632120

Structural Information

Molecular Formula
C24H31NO3
SMILES
CCCCCCCCCCCC1=C2C(=CC(=O)C1=O)NC3=C(O2)C=CC(=C3)C
InChI
InChI=1S/C24H31NO3/c1-3-4-5-6-7-8-9-10-11-12-18-23(27)21(26)16-20-24(18)28-22-14-13-17(2)15-19(22)25-20/h13-16,25H,3-12H2,1-2H3
InChIKey
QLWIOWJCOKLKBR-UHFFFAOYSA-N
Compound name
8-methyl-4-undecyl-10H-phenoxazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2304 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.23768 196.8
[M+Na]+ 404.21962 204.8
[M-H]- 380.22312 199.5
[M+NH4]+ 399.26422 208.0
[M+K]+ 420.19356 198.6
[M+H-H2O]+ 364.22766 187.4
[M+HCOO]- 426.22860 212.7
[M+CH3COO]- 440.24425 222.3
[M+Na-2H]- 402.20507 199.6
[M]+ 381.22985 203.2
[M]- 381.23095 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.