CID 415940

Nsc74609

Structural Information

Molecular Formula
C22H26Cl3N3
SMILES
CCN(CC)CCCC(C)NC1=C2C=C(C=C(C2=NC3=C1C=CC(=C3)Cl)Cl)Cl
InChI
InChI=1S/C22H26Cl3N3/c1-4-28(5-2)10-6-7-14(3)26-21-17-9-8-15(23)13-20(17)27-22-18(21)11-16(24)12-19(22)25/h8-9,11-14H,4-7,10H2,1-3H3,(H,26,27)
InChIKey
BFQDUUJEGDCHOS-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(2,4,6-trichloroacridin-9-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

437.11923 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.12651 202.7
[M+Na]+ 460.10845 211.8
[M-H]- 436.11195 205.5
[M+NH4]+ 455.15305 215.3
[M+K]+ 476.08239 203.9
[M+H-H2O]+ 420.11649 195.3
[M+HCOO]- 482.11743 208.8
[M+CH3COO]- 496.13308 238.4
[M+Na-2H]- 458.09390 204.0
[M]+ 437.11868 211.5
[M]- 437.11978 211.5
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

patents stripe