CID 384251

Nsc673797

Structural Information

Molecular Formula
C17H17N3O4
SMILES
COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCCO
InChI
InChI=1S/C17H17N3O4/c1-24-11-6-7-13-12(10-11)17(18-8-3-9-21)16-14(19-13)4-2-5-15(16)20(22)23/h2,4-7,10,21H,3,8-9H2,1H3,(H,18,19)
InChIKey
LDRJZRDGRTXWOE-UHFFFAOYSA-N
Compound name
3-[(7-methoxy-1-nitroacridin-9-yl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

327.12192 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12920 171.0
[M+Na]+ 350.11114 178.3
[M-H]- 326.11464 174.2
[M+NH4]+ 345.15574 184.0
[M+K]+ 366.08508 169.7
[M+H-H2O]+ 310.11918 166.7
[M+HCOO]- 372.12012 193.1
[M+CH3COO]- 386.13577 205.6
[M+Na-2H]- 348.09659 181.3
[M]+ 327.12137 173.5
[M]- 327.12247 173.5
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

patents stripe