CID 16048966

956590-23-1

Structural Information

Molecular Formula
C17H18N4O3
SMILES
CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)NC(=O)N
InChI
InChI=1S/C17H18N4O3/c1-20(2)6-7-21-15(22)12-5-3-4-10-8-11(19-17(18)24)9-13(14(10)12)16(21)23/h3-5,8-9H,6-7H2,1-2H3,(H3,18,19,24)
InChIKey
WCKZRLOUKYFJDY-UHFFFAOYSA-N
Compound name
[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

83
Patents

326.13788 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14516 174.1
[M+Na]+ 349.12710 184.5
[M+NH4]+ 344.17170 180.4
[M+K]+ 365.10104 179.1
[M-H]- 325.13060 176.5
[M+Na-2H]- 347.11255 176.7
[M]+ 326.13733 175.9
[M]- 326.13843 175.9
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