CID 5816434

Nsc664965

Structural Information

Molecular Formula
C17H13Cl2N3O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=O)NC/C(=C/Cl)/Cl
InChI
InChI=1S/C17H13Cl2N3O/c18-9-11(19)10-20-17(23)22-16-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)16/h1-9H,10H2,(H2,20,21,22,23)/b11-9-
InChIKey
ZVPMTYJNZLZWHT-LUAWRHEFSA-N
Compound name
1-acridin-9-yl-3-[(Z)-2,3-dichloroprop-2-enyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.04358 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05086 174.0
[M+Na]+ 368.03280 183.2
[M-H]- 344.03630 177.2
[M+NH4]+ 363.07740 188.9
[M+K]+ 384.00674 175.3
[M+H-H2O]+ 328.04084 167.2
[M+HCOO]- 390.04178 186.8
[M+CH3COO]- 404.05743 184.3
[M+Na-2H]- 366.01825 181.4
[M]+ 345.04303 178.1
[M]- 345.04413 178.1
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.