CID 3060207

Icr 442

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
CC(CNCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)Cl
InChI
InChI=1S/C19H22ClN3O/c1-13(20)12-21-9-10-22-19-15-5-3-4-6-17(15)23-18-8-7-14(24-2)11-16(18)19/h3-8,11,13,21H,9-10,12H2,1-2H3,(H,22,23)
InChIKey
QSHADVFMDJTDIG-UHFFFAOYSA-N
Compound name
N-(2-chloropropyl)-N'-(2-methoxyacridin-9-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14514 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.152416 179.5
[M+Na]+ 366.134358 187.7
[M-H]- 342.137864 183.2
[M+NH4]+ 361.178963 194.2
[M+K]+ 382.108298 181.1
[M+H-H2O]+ 326.142400 171.2
[M+HCOO]- 388.143341 197.0
[M+CH3COO]- 402.158991 218.6
[M+Na-2H]- 364.119806 186.9
[M]+ 343.14459142 185.2
[M]- 343.14568858 185.2
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.