CID 384620

Nsc674633

Structural Information

Molecular Formula
C14H19N3O
SMILES
CC(C)NC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C14H19N3O/c1-10(2)17-14(18)15-8-7-11-9-16-13-6-4-3-5-12(11)13/h3-6,9-10,16H,7-8H2,1-2H3,(H2,15,17,18)
InChIKey
BEKYAISYHQUMPB-UHFFFAOYSA-N
Compound name
1-[2-(1H-indol-3-yl)ethyl]-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 157.2
[M+Na]+ 268.14204 163.4
[M-H]- 244.14554 159.2
[M+NH4]+ 263.18664 175.0
[M+K]+ 284.11598 159.4
[M+H-H2O]+ 228.15008 149.9
[M+HCOO]- 290.15102 180.0
[M+CH3COO]- 304.16667 196.2
[M+Na-2H]- 266.12749 161.8
[M]+ 245.15227 156.8
[M]- 245.15337 156.8
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.