CID 367422

Nsc637140

Structural Information

Molecular Formula
C23H29Cl2N3O
SMILES
COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCCCN(CCCl)CCCl
InChI
InChI=1S/C23H29Cl2N3O/c1-29-18-9-10-22-20(17-18)23(19-7-3-4-8-21(19)27-22)26-13-5-2-6-14-28(15-11-24)16-12-25/h3-4,7-10,17H,2,5-6,11-16H2,1H3,(H,26,27)
InChIKey
JXENVDICRCOCRF-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-N-(2-methoxyacridin-9-yl)pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.16876 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.17604 203.7
[M+Na]+ 456.15798 210.7
[M-H]- 432.16148 206.9
[M+NH4]+ 451.20258 215.7
[M+K]+ 472.13192 203.0
[M+H-H2O]+ 416.16602 194.5
[M+HCOO]- 478.16696 216.0
[M+CH3COO]- 492.18261 236.2
[M+Na-2H]- 454.14343 208.3
[M]+ 433.16821 213.7
[M]- 433.16931 213.7
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.