CID 9570974

101858-16-6

Structural Information

Molecular Formula
C13H21N5O4
SMILES
CCN(CC)CCCNC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C13H21N5O4/c1-3-17(4-2)9-5-8-14-13(19)16-15-10-11-6-7-12(22-11)18(20)21/h6-7,10H,3-5,8-9H2,1-2H3,(H2,14,16,19)/b15-10+
InChIKey
PCJJYLQECJTKOW-XNTDXEJSSA-N
Compound name
1-[3-(diethylamino)propyl]-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15936 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.16664 173.4
[M+Na]+ 334.14858 175.5
[M-H]- 310.15208 179.5
[M+NH4]+ 329.19318 187.2
[M+K]+ 350.12252 172.4
[M+H-H2O]+ 294.15662 168.8
[M+HCOO]- 356.15756 202.8
[M+CH3COO]- 370.17321 212.7
[M+Na-2H]- 332.13403 179.1
[M]+ 311.15881 175.1
[M]- 311.15991 175.1
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.