CID 3123177

Mixcom6_000607

Structural Information

Molecular Formula
C26H35Cl2N5O3
SMILES
CCN(CC)CCOC1=C(C=C2C(=C1)C(=NNC(=O)N)C3=CC(=C(C=C32)Cl)OCCN(CC)CC)Cl
InChI
InChI=1S/C26H35Cl2N5O3/c1-5-32(6-2)9-11-35-23-15-19-17(13-21(23)27)18-14-22(28)24(36-12-10-33(7-3)8-4)16-20(18)25(19)30-31-26(29)34/h13-16H,5-12H2,1-4H3,(H3,29,31,34)
InChIKey
FTRKHDRTUUJAGN-UHFFFAOYSA-N
Compound name
[[3,6-dichloro-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.2117 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.21898 230.0
[M+Na]+ 558.20092 238.3
[M+NH4]+ 553.24552 235.4
[M+K]+ 574.17486 232.0
[M-H]- 534.20442 234.1
[M+Na-2H]- 556.18637 231.2
[M]+ 535.21115 232.5
[M]- 535.21225 232.5
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.