CID 384246

Nsc673792

Structural Information

Molecular Formula
C17H18N4O3
SMILES
C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCNCCO
InChI
InChI=1S/C17H18N4O3/c22-11-10-18-8-9-19-17-12-4-1-2-5-13(12)20-14-6-3-7-15(16(14)17)21(23)24/h1-7,18,22H,8-11H2,(H,19,20)
InChIKey
WWCHZSZUXCSNOQ-UHFFFAOYSA-N
Compound name
2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.13788 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14516 167.9
[M+Na]+ 349.12710 173.7
[M-H]- 325.13060 170.6
[M+NH4]+ 344.17170 180.4
[M+K]+ 365.10104 164.5
[M+H-H2O]+ 309.13514 163.5
[M+HCOO]- 371.13608 191.0
[M+CH3COO]- 385.15173 207.3
[M+Na-2H]- 347.11255 179.7
[M]+ 326.13733 168.1
[M]- 326.13843 168.1
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