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 180.7
[M+Na]+ 366.13436 196.0
[M+NH4]+ 361.17896 189.7
[M+K]+ 382.10830 186.0
[M-H]- 342.13786 185.6
[M+Na-2H]- 364.11981 188.1
[M]+ 343.14459 184.7
[M]- 343.14569 184.7
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.