CID 294137

Urea, 1-(2-chloroethyl)-3-(10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)-

Structural Information

Molecular Formula
C18H19ClN2O
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)NC(=O)NCCCl
InChI
InChI=1S/C18H19ClN2O/c19-11-12-20-18(22)21-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H2,20,21,22)
InChIKey
DKFBCJSOTLNSGV-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1186 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12588 170.8
[M+Na]+ 337.10782 177.0
[M-H]- 313.11132 176.5
[M+NH4]+ 332.15242 187.1
[M+K]+ 353.08176 175.4
[M+H-H2O]+ 297.11586 165.2
[M+HCOO]- 359.11680 187.5
[M+CH3COO]- 373.13245 181.1
[M+Na-2H]- 335.09327 177.0
[M]+ 314.11805 168.8
[M]- 314.11915 168.8
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.