CID 374949

Hydroxy-dimethyl-[2-[(1-nitroacridin-9-yl)amino]ethyl]ammonium

Structural Information

Molecular Formula
C17H19N4O3
SMILES
C[N+](C)(CCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])O
InChI
InChI=1S/C17H19N4O3/c1-21(2,24)11-10-18-17-12-6-3-4-7-13(12)19-14-8-5-9-15(16(14)17)20(22)23/h3-9,24H,10-11H2,1-2H3,(H,18,19)/q+1
InChIKey
MGONSVFRDBYMLT-UHFFFAOYSA-N
Compound name
hydroxy-dimethyl-[2-[(1-nitroacridin-9-yl)amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14572 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15300 169.9
[M+Na]+ 350.13494 176.0
[M-H]- 326.13844 174.4
[M+NH4]+ 345.17954 182.8
[M+K]+ 366.10888 162.3
[M+H-H2O]+ 310.14298 168.6
[M+HCOO]- 372.14392 191.9
[M+CH3COO]- 386.15957 203.4
[M+Na-2H]- 348.12039 185.3
[M]+ 327.14517 169.5
[M]- 327.14627 169.5
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.