CID 382870

Nsc670702

Structural Information

Molecular Formula
C22H28N4O3
SMILES
CC(C)[N+](CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])(C(C)C)[O-]
InChI
InChI=1S/C22H28N4O3/c1-15(2)26(29,16(3)4)14-8-13-23-22-17-9-5-6-10-18(17)24-19-11-7-12-20(21(19)22)25(27)28/h5-7,9-12,15-16H,8,13-14H2,1-4H3,(H,23,24)
InChIKey
QLOKYBMKHDOMID-UHFFFAOYSA-N
Compound name
3-[(1-nitroacridin-9-yl)amino]-N,N-di(propan-2-yl)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

396.21616 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.22344 192.2
[M+Na]+ 419.20538 194.8
[M-H]- 395.20888 195.3
[M+NH4]+ 414.24998 201.7
[M+K]+ 435.17932 182.1
[M+H-H2O]+ 379.21342 191.9
[M+HCOO]- 441.21436 210.8
[M+CH3COO]- 455.23001 219.1
[M+Na-2H]- 417.19083 202.2
[M]+ 396.21561 191.0
[M]- 396.21671 191.0
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.