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
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 189.2
[M+Na]+ 410.17986 188.9
[M-H]- 386.18336 195.4
[M+NH4]+ 405.22446 197.4
[M+K]+ 426.15380 178.1
[M+H-H2O]+ 370.18790 187.4
[M+HCOO]- 432.18884 215.9
[M+CH3COO]- 446.20449 220.1
[M+Na-2H]- 408.16531 196.2
[M]+ 387.19009 186.7
[M]- 387.19119 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