CID 365097

Nsc632122

Structural Information

Molecular Formula
C29H34N2O3
SMILES
CCCCCCCCCCCC1=C2C(=NC3=CC=CC=C3O2)C=C(C1=O)NC4=CC=CC=C4O
InChI
InChI=1S/C29H34N2O3/c1-2-3-4-5-6-7-8-9-10-15-21-28(33)24(30-22-16-11-13-18-26(22)32)20-25-29(21)34-27-19-14-12-17-23(27)31-25/h11-14,16-20,30,32H,2-10,15H2,1H3
InChIKey
XBYCLADVPDIGAS-UHFFFAOYSA-N
Compound name
2-(2-hydroxyanilino)-4-undecylphenoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.25696 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.26424 218.1
[M+Na]+ 481.24618 223.7
[M-H]- 457.24968 223.3
[M+NH4]+ 476.29078 224.9
[M+K]+ 497.22012 216.8
[M+H-H2O]+ 441.25422 206.1
[M+HCOO]- 503.25516 234.1
[M+CH3COO]- 517.27081 238.7
[M+Na-2H]- 479.23163 221.0
[M]+ 458.25641 223.2
[M]- 458.25751 223.2
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.