CID 378852

Nsc662192

Structural Information

Molecular Formula
C21H26N4O3
SMILES
CCN(CC)CCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C21H26N4O3/c1-4-24(5-2)13-7-12-22-21-16-14-15(28-3)10-11-17(16)23-18-8-6-9-19(20(18)21)25(26)27/h6,8-11,14H,4-5,7,12-13H2,1-3H3,(H,22,23)
InChIKey
YUXSIPUVVAIXPX-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(7-methoxy-1-nitroacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2005 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.207776 190.6
[M+Na]+ 405.189718 195.9
[M-H]- 381.193224 195.6
[M+NH4]+ 400.234323 202.2
[M+K]+ 421.163658 188.1
[M+H-H2O]+ 365.197760 184.8
[M+HCOO]- 427.198701 214.0
[M+CH3COO]- 441.214351 226.1
[M+Na-2H]- 403.175166 198.7
[M]+ 382.19995142 195.2
[M]- 382.20104858 195.2
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.