CID 364655

Nsc631198

Structural Information

Molecular Formula
C22H28ClN3O
SMILES
CN(CCCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl
InChI
InChI=1S/C22H28ClN3O/c1-26(15-12-23)14-7-3-6-13-24-22-18-8-4-5-9-20(18)25-21-11-10-17(27-2)16-19(21)22/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3,(H,24,25)
InChIKey
NLXSYGFEXTYTFA-UHFFFAOYSA-N
Compound name
N'-(2-chloroethyl)-N-(2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.19208 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19936 194.0
[M+Na]+ 408.18130 201.2
[M-H]- 384.18480 198.3
[M+NH4]+ 403.22590 207.6
[M+K]+ 424.15524 194.7
[M+H-H2O]+ 368.18934 184.5
[M+HCOO]- 430.19028 211.8
[M+CH3COO]- 444.20593 229.7
[M+Na-2H]- 406.16675 200.0
[M]+ 385.19153 202.4
[M]- 385.19263 202.4
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.