CID 5464846

Nsc344276

Structural Information

Molecular Formula
C21H22ClN3O
SMILES
CCN(CC)CC1=C(C=CC2=C1C3=CN=C4C=C(C=CC4=C3N2)Cl)OC
InChI
InChI=1S/C21H22ClN3O/c1-4-25(5-2)12-16-19(26-3)9-8-17-20(16)15-11-23-18-10-13(22)6-7-14(18)21(15)24-17/h6-11,24H,4-5,12H2,1-3H3
InChIKey
KEEOBSHDOWVPCJ-UHFFFAOYSA-N
Compound name
N-[(3-chloro-8-methoxy-11H-indolo[3,2-c]quinolin-7-yl)methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14514 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15242 188.9
[M+Na]+ 390.13436 200.8
[M-H]- 366.13786 193.3
[M+NH4]+ 385.17896 204.8
[M+K]+ 406.10830 193.0
[M+H-H2O]+ 350.14240 180.2
[M+HCOO]- 412.14334 204.9
[M+CH3COO]- 426.15899 199.8
[M+Na-2H]- 388.11981 193.8
[M]+ 367.14459 197.9
[M]- 367.14569 197.9
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.