CID 147931

125880-84-4

Structural Information

Molecular Formula
C19H24N8O4
SMILES
C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])NCCCCCNC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]
InChI
InChI=1S/C19H24N8O4/c20-18(21)12-4-6-14(16(10-12)26(28)29)24-8-2-1-3-9-25-15-7-5-13(19(22)23)11-17(15)27(30)31/h4-7,10-11,24-25H,1-3,8-9H2,(H3,20,21)(H3,22,23)
InChIKey
UKXIBOJBHONNSI-UHFFFAOYSA-N
Compound name
4-[5-(4-carbamimidoyl-2-nitroanilino)pentylamino]-3-nitrobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

428.19205 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.19933 188.0
[M+Na]+ 451.18127 186.5
[M-H]- 427.18477 192.5
[M+NH4]+ 446.22587 192.6
[M+K]+ 467.15521 175.2
[M+H-H2O]+ 411.18931 185.8
[M+HCOO]- 473.19025 213.9
[M+CH3COO]- 487.20590 231.9
[M+Na-2H]- 449.16672 193.2
[M]+ 428.19150 178.7
[M]- 428.19260 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.