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]+ 344.15242 179.5
[M+Na]+ 366.13436 187.7
[M-H]- 342.13786 183.2
[M+NH4]+ 361.17896 194.2
[M+K]+ 382.10830 181.1
[M+H-H2O]+ 326.14240 171.2
[M+HCOO]- 388.14334 197.0
[M+CH3COO]- 402.15899 218.6
[M+Na-2H]- 364.11981 186.9
[M]+ 343.14459 185.2
[M]- 343.14569 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.