CID 149592

C 1006

Structural Information

Molecular Formula
C22H28N4O2
SMILES
CCCCCCNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C22H28N4O2/c1-2-3-4-7-14-23-15-9-16-24-22-17-10-5-6-11-18(17)25-19-12-8-13-20(21(19)22)26(27)28/h5-6,8,10-13,23H,2-4,7,9,14-16H2,1H3,(H,24,25)
InChIKey
NSZWREFZGBFSJX-UHFFFAOYSA-N
Compound name
N-hexyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.22122 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.22850 191.8
[M+Na]+ 403.21044 205.7
[M+NH4]+ 398.25504 199.3
[M+K]+ 419.18438 198.3
[M-H]- 379.21394 197.5
[M+Na-2H]- 401.19589 198.0
[M]+ 380.22067 195.3
[M]- 380.22177 195.3
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