CID 364049

Icr 230

Structural Information

Molecular Formula
C21H25Cl2N3O
SMILES
COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCN(CCCl)CCCl
InChI
InChI=1S/C21H25Cl2N3O/c1-27-16-7-8-20-18(15-16)21(17-5-2-3-6-19(17)25-20)24-11-4-12-26(13-9-22)14-10-23/h2-3,5-8,15H,4,9-14H2,1H3,(H,24,25)
InChIKey
RSVUKAJFXIQJIA-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-N-(2-methoxyacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.13748 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.14476 194.6
[M+Na]+ 428.12670 202.6
[M-H]- 404.13020 198.3
[M+NH4]+ 423.17130 207.9
[M+K]+ 444.10064 195.4
[M+H-H2O]+ 388.13474 186.0
[M+HCOO]- 450.13568 207.7
[M+CH3COO]- 464.15133 230.5
[M+Na-2H]- 426.11215 200.3
[M]+ 405.13693 204.0
[M]- 405.13803 204.0
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.