CID 384253

Nsc673799

Structural Information

Molecular Formula
C20H21N3O5
SMILES
COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCCCCC(=O)O
InChI
InChI=1S/C20H21N3O5/c1-28-13-9-10-15-14(12-13)20(21-11-4-2-3-8-18(24)25)19-16(22-15)6-5-7-17(19)23(26)27/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,21,22)(H,24,25)
InChIKey
DMVRDIUGDIVKPU-UHFFFAOYSA-N
Compound name
6-[(7-methoxy-1-nitroacridin-9-yl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

383.14813 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15541 186.9
[M+Na]+ 406.13735 192.4
[M-H]- 382.14085 189.4
[M+NH4]+ 401.18195 197.1
[M+K]+ 422.11129 184.0
[M+H-H2O]+ 366.14539 181.9
[M+HCOO]- 428.14633 207.2
[M+CH3COO]- 442.16198 216.6
[M+Na-2H]- 404.12280 194.7
[M]+ 383.14758 190.3
[M]- 383.14868 190.3
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