CID 93660

57402-83-2

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
1
Annotation Hits

0
References

0
Patents

387.19064 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.19792 204.6
[M+Na]+ 410.17986 208.7
[M+NH4]+ 405.22446 211.6
[M+K]+ 426.15380 215.3
[M-H]- 386.18336 199.3
[M+Na-2H]- 408.16531 200.4
[M]+ 387.19009 205.1
[M]- 387.19119 205.1
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.