CID 459135

9-[3-(2-amino-4-pyrimidylamino)-propylamino]-6-chloro-2-methoxyacridine

Structural Information

Molecular Formula
C21H21ClN6O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCNC4=NC(=NC=C4)N
InChI
InChI=1S/C21H21ClN6O/c1-29-14-4-6-17-16(12-14)20(15-5-3-13(22)11-18(15)27-17)25-9-2-8-24-19-7-10-26-21(23)28-19/h3-7,10-12H,2,8-9H2,1H3,(H,25,27)(H3,23,24,26,28)
InChIKey
XPKOBODIYDLIQD-UHFFFAOYSA-N
Compound name
4-N-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.14655 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.15383 195.3
[M+Na]+ 431.13577 205.0
[M-H]- 407.13927 199.5
[M+NH4]+ 426.18037 203.9
[M+K]+ 447.10971 196.5
[M+H-H2O]+ 391.14381 183.9
[M+HCOO]- 453.14475 211.8
[M+CH3COO]- 467.16040 203.9
[M+Na-2H]- 429.12122 204.0
[M]+ 408.14600 199.9
[M]- 408.14710 199.9
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.