CID 53321

9-(2-pyridylamino)acridine hydrochloride hemihydrate

Structural Information

Molecular Formula
C18H13N3
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=CC=N4
InChI
InChI=1S/C18H13N3/c1-3-9-15-13(7-1)18(21-17-11-5-6-12-19-17)14-8-2-4-10-16(14)20-15/h1-12H,(H,19,20,21)
InChIKey
ZJEWFPBFQJVEEW-UHFFFAOYSA-N
Compound name
N-pyridin-2-ylacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

271.11096 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11824 160.1
[M+Na]+ 294.10018 169.8
[M-H]- 270.10368 166.0
[M+NH4]+ 289.14478 175.0
[M+K]+ 310.07412 162.5
[M+H-H2O]+ 254.10822 149.7
[M+HCOO]- 316.10916 182.2
[M+CH3COO]- 330.12481 171.9
[M+Na-2H]- 292.08563 172.5
[M]+ 271.11041 160.3
[M]- 271.11151 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe