CID 364657

Nsc631199

Structural Information

Molecular Formula
C23H30ClN3O
SMILES
CCN(CCCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl
InChI
InChI=1S/C23H30ClN3O/c1-3-27(16-13-24)15-8-4-7-14-25-23-19-9-5-6-10-21(19)26-22-12-11-18(28-2)17-20(22)23/h5-6,9-12,17H,3-4,7-8,13-16H2,1-2H3,(H,25,26)
InChIKey
KWUNBVYUMOKZAY-UHFFFAOYSA-N
Compound name
N'-(2-chloroethyl)-N'-ethyl-N-(2-methoxyacridin-9-yl)pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

399.20773 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.21501 198.6
[M+Na]+ 422.19695 205.3
[M-H]- 398.20045 202.7
[M+NH4]+ 417.24155 211.5
[M+K]+ 438.17089 198.6
[M+H-H2O]+ 382.20499 188.8
[M+HCOO]- 444.20593 216.0
[M+CH3COO]- 458.22158 232.6
[M+Na-2H]- 420.18240 204.0
[M]+ 399.20718 207.3
[M]- 399.20828 207.3
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

patents stripe