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]+ 383.20778 190.6
[M+Na]+ 405.18972 195.9
[M-H]- 381.19322 195.6
[M+NH4]+ 400.23432 202.2
[M+K]+ 421.16366 188.1
[M+H-H2O]+ 365.19776 184.8
[M+HCOO]- 427.19870 214.0
[M+CH3COO]- 441.21435 226.1
[M+Na-2H]- 403.17517 198.7
[M]+ 382.19995 195.2
[M]- 382.20105 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.