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 189.8
[M+Na]+ 403.21044 193.9
[M-H]- 379.21394 192.7
[M+NH4]+ 398.25504 200.7
[M+K]+ 419.18438 183.7
[M+H-H2O]+ 363.21848 184.0
[M+HCOO]- 425.21942 212.3
[M+CH3COO]- 439.23507 222.5
[M+Na-2H]- 401.19589 198.8
[M]+ 380.22067 191.8
[M]- 380.22177 191.8
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