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

literature stripe

Patent stripe

patents stripe