CID 53593

1-nitro-9-(2-dihydroxyethylamino-ethylamino)-acridine hydrochloride

Structural Information

Molecular Formula
C19H22N4O4
SMILES
C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCN(CCO)CCO
InChI
InChI=1S/C19H22N4O4/c24-12-10-22(11-13-25)9-8-20-19-14-4-1-2-5-15(14)21-16-6-3-7-17(18(16)19)23(26)27/h1-7,24-25H,8-13H2,(H,20,21)
InChIKey
SEGKYGNRPDCERU-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[2-[(1-nitroacridin-9-yl)amino]ethyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

370.1641 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17138 180.2
[M+Na]+ 393.15332 184.4
[M-H]- 369.15682 182.5
[M+NH4]+ 388.19792 190.6
[M+K]+ 409.12726 176.1
[M+H-H2O]+ 353.16136 175.2
[M+HCOO]- 415.16230 201.7
[M+CH3COO]- 429.17795 216.1
[M+Na-2H]- 391.13877 190.0
[M]+ 370.16355 181.7
[M]- 370.16465 181.7
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.