CID 96866

Urea, 1-(7-nitrofluoren-2-yl)-3-propyl-

Structural Information

Molecular Formula
C17H17N3O3
SMILES
CCCNC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H17N3O3/c1-2-7-18-17(21)19-13-3-5-15-11(9-13)8-12-10-14(20(22)23)4-6-16(12)15/h3-6,9-10H,2,7-8H2,1H3,(H2,18,19,21)
InChIKey
WIGFVWXLPMTKCJ-UHFFFAOYSA-N
Compound name
1-(7-nitro-9H-fluoren-2-yl)-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.12698 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 168.1
[M+Na]+ 334.11620 173.4
[M-H]- 310.11970 173.4
[M+NH4]+ 329.16080 185.0
[M+K]+ 350.09014 165.3
[M+H-H2O]+ 294.12424 165.4
[M+HCOO]- 356.12518 192.5
[M+CH3COO]- 370.14083 205.6
[M+Na-2H]- 332.10165 175.2
[M]+ 311.12643 167.4
[M]- 311.12753 167.4
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.