CID 93660

Einecs 260-719-2

Structural Information

Molecular Formula
C19H25N5O4
SMILES
CN(CCCNC1=CC=CC=C1[N+](=O)[O-])CCCNC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C19H25N5O4/c1-22(14-6-12-20-16-8-2-4-10-18(16)23(25)26)15-7-13-21-17-9-3-5-11-19(17)24(27)28/h2-5,8-11,20-21H,6-7,12-15H2,1H3
InChIKey
QINTZFYFQXRHFS-UHFFFAOYSA-N
Compound name
N'-methyl-N'-[3-(2-nitroanilino)propyl]-N-(2-nitrophenyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

387.19064 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.197916 189.2
[M+Na]+ 410.179858 188.9
[M-H]- 386.183364 195.4
[M+NH4]+ 405.224463 197.4
[M+K]+ 426.153798 178.1
[M+H-H2O]+ 370.187900 187.4
[M+HCOO]- 432.188841 215.9
[M+CH3COO]- 446.204491 220.1
[M+Na-2H]- 408.165306 196.2
[M]+ 387.19009142 186.7
[M]- 387.19118858 186.7
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