CID 11161844

Bx-517

Structural Information

Molecular Formula
C15H14N4O2
SMILES
C/C(=C/1\C2=C(C=CC(=C2)NC(=O)N)NC1=O)/C3=CC=CN3
InChI
InChI=1S/C15H14N4O2/c1-8(11-3-2-6-17-11)13-10-7-9(18-15(16)21)4-5-12(10)19-14(13)20/h2-7,17H,1H3,(H,19,20)(H3,16,18,21)/b13-8-
InChIKey
DFURSNCTQGJRRX-JYRVWZFOSA-N
Compound name
[(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

45
Patents

282.11166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.118936 164.5
[M+Na]+ 305.100878 170.9
[M-H]- 281.104384 167.4
[M+NH4]+ 300.145483 179.9
[M+K]+ 321.074818 165.3
[M+H-H2O]+ 265.108920 157.1
[M+HCOO]- 327.109861 183.4
[M+CH3COO]- 341.125511 199.1
[M+Na-2H]- 303.086326 163.9
[M]+ 282.11111142 158.7
[M]- 282.11220858 158.7
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

No patent data available for this compound.