CID 363888

Nsc629266

Structural Information

Molecular Formula
C24H31Cl2N3O
SMILES
COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCCCCN(CCCl)CCCl
InChI
InChI=1S/C24H31Cl2N3O/c1-30-19-10-11-23-21(18-19)24(20-8-4-5-9-22(20)28-23)27-14-6-2-3-7-15-29(16-12-25)17-13-26/h4-5,8-11,18H,2-3,6-7,12-17H2,1H3,(H,27,28)
InChIKey
LUJRWIHIVBKTRQ-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-N-(2-methoxyacridin-9-yl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

447.18442 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.19170 208.1
[M+Na]+ 470.17364 214.8
[M-H]- 446.17714 211.1
[M+NH4]+ 465.21824 219.6
[M+K]+ 486.14758 206.8
[M+H-H2O]+ 430.18168 198.8
[M+HCOO]- 492.18262 220.1
[M+CH3COO]- 506.19827 239.0
[M+Na-2H]- 468.15909 212.2
[M]+ 447.18387 218.4
[M]- 447.18497 218.4
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