CID 46937053

1-{2-oxo-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-5-yl}urea

Structural Information

Molecular Formula
C15H14N4O2
SMILES
C[C@@H](C1=CC=CN1)C2=C3C=C(C=CC3=NC2=O)NC(=O)N
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/h2-8,17H,1H3,(H3,16,18,21)/t8-/m0/s1
InChIKey
KJDBLWKTHMHALD-QMMMGPOBSA-N
Compound name
[2-oxo-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]indol-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

282.11166 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 162.9
[M+Na]+ 305.10088 171.4
[M-H]- 281.10438 167.9
[M+NH4]+ 300.14548 179.2
[M+K]+ 321.07482 166.8
[M+H-H2O]+ 265.10892 155.1
[M+HCOO]- 327.10986 186.0
[M+CH3COO]- 341.12551 174.6
[M+Na-2H]- 303.08633 164.7
[M]+ 282.11111 162.6
[M]- 282.11221 162.6
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

patents stripe