CID 294265

Urea, 1-(9-carbazolyl)-3-(2-chloroethyl)-

Structural Information

Molecular Formula
C15H14ClN3O
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2NC(=O)NCCCl
InChI
InChI=1S/C15H14ClN3O/c16-9-10-17-15(20)18-19-13-7-3-1-5-11(13)12-6-2-4-8-14(12)19/h1-8H,9-10H2,(H2,17,18,20)
InChIKey
YMEFUGLZZYZKBE-UHFFFAOYSA-N
Compound name
1-carbazol-9-yl-3-(2-chloroethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08255 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08983 162.8
[M+Na]+ 310.07177 172.3
[M-H]- 286.07527 167.2
[M+NH4]+ 305.11637 181.6
[M+K]+ 326.04571 165.9
[M+H-H2O]+ 270.07981 155.8
[M+HCOO]- 332.08075 182.8
[M+CH3COO]- 346.09640 174.9
[M+Na-2H]- 308.05722 170.3
[M]+ 287.08200 166.7
[M]- 287.08310 166.7
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.