CID 459795

2-[(6-chloro-2-methoxy-acridin-9-yl)amino]-4,6-bis(diethylaminomethyl)phenol

Structural Information

Molecular Formula
C30H37ClN4O2
SMILES
CCN(CC)CC1=CC(=C(C(=C1)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)O)CN(CC)CC
InChI
InChI=1S/C30H37ClN4O2/c1-6-34(7-2)18-20-14-21(19-35(8-3)9-4)30(36)28(15-20)33-29-24-12-10-22(31)16-27(24)32-26-13-11-23(37-5)17-25(26)29/h10-17,36H,6-9,18-19H2,1-5H3,(H,32,33)
InChIKey
YVHHBLPSRPIQFP-UHFFFAOYSA-N
Compound name
2-[(6-chloro-2-methoxyacridin-9-yl)amino]-4,6-bis(diethylaminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.2605 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.26778 233.6
[M+Na]+ 543.24972 240.2
[M-H]- 519.25322 241.3
[M+NH4]+ 538.29432 241.3
[M+K]+ 559.22366 234.0
[M+H-H2O]+ 503.25776 222.0
[M+HCOO]- 565.25870 249.7
[M+CH3COO]- 579.27435 261.6
[M+Na-2H]- 541.23517 234.4
[M]+ 520.25995 243.8
[M]- 520.26105 243.8
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.