CID 6481886

Ca-0

Structural Information

Molecular Formula
C19H18ClN3O3
SMILES
CC1=CC2=C(C3=C1NC4=CC(=C(C=C43)O)Cl)C(=O)N(C2=O)CCN(C)C
InChI
InChI=1S/C19H18ClN3O3/c1-9-6-11-16(19(26)23(18(11)25)5-4-22(2)3)15-10-7-14(24)12(20)8-13(10)21-17(9)15/h6-8,21,24H,4-5H2,1-3H3
InChIKey
NGFZLULJJAYVHL-UHFFFAOYSA-N
Compound name
8-chloro-2-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

371.10367 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11095 188.6
[M+Na]+ 394.09289 201.4
[M-H]- 370.09639 192.9
[M+NH4]+ 389.13749 205.9
[M+K]+ 410.06683 194.4
[M+H-H2O]+ 354.10093 182.9
[M+HCOO]- 416.10187 202.5
[M+CH3COO]- 430.11752 199.7
[M+Na-2H]- 392.07834 187.8
[M]+ 371.10312 195.9
[M]- 371.10422 195.9
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.