CID 9421

Cellulose, carboxymethyl ether, calcium salt

Structural Information

Molecular Formula
C23H30ClN3O
SMILES
CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)Cl
InChI
InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-14-17(24)9-11-21(19)26-22-12-10-18(28-4)15-20(22)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
InChIKey
SVUDQUZYHLUPQN-UHFFFAOYSA-N
Compound name
4-N-(2-chloro-7-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

399.20773 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.21501 199.7
[M+Na]+ 422.19695 207.0
[M-H]- 398.20045 204.3
[M+NH4]+ 417.24155 212.9
[M+K]+ 438.17089 201.0
[M+H-H2O]+ 382.20499 190.5
[M+HCOO]- 444.20593 216.2
[M+CH3COO]- 458.22158 234.7
[M+Na-2H]- 420.18240 203.2
[M]+ 399.20718 208.3
[M]- 399.20828 208.3
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

patents stripe