CID 263958

13229-23-7

Structural Information

Molecular Formula
C26H30N2O7
SMILES
CCCCOC(=O)C1=C2C(=C(C=C1)C)OC3=C(C(=O)C(=C(C3=N2)C(=O)OCCCC)NC(=O)C)C
InChI
InChI=1S/C26H30N2O7/c1-6-8-12-33-25(31)17-11-10-14(3)23-19(17)28-21-18(26(32)34-13-9-7-2)20(27-16(5)29)22(30)15(4)24(21)35-23/h10-11H,6-9,12-13H2,1-5H3,(H,27,29)
InChIKey
KZAJHKQPWNTRHX-UHFFFAOYSA-N
Compound name
dibutyl 2-acetamido-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.2053 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.21258 218.0
[M+Na]+ 505.19452 224.9
[M-H]- 481.19802 222.6
[M+NH4]+ 500.23912 224.9
[M+K]+ 521.16846 223.4
[M+H-H2O]+ 465.20256 208.0
[M+HCOO]- 527.20350 233.5
[M+CH3COO]- 541.21915 246.8
[M+Na-2H]- 503.17997 216.9
[M]+ 482.20475 229.3
[M]- 482.20585 229.3
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.