CID 24778473

N-[4-(2-chlorophenyl)-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazol-9-yl]formamide

Structural Information

Molecular Formula
C21H12ClN3O3
SMILES
C1=CC=C(C(=C1)C2=CC3=C(C4=C(N3)C=CC(=C4)NC=O)C5=C2C(=O)NC5=O)Cl
InChI
InChI=1S/C21H12ClN3O3/c22-14-4-2-1-3-11(14)12-8-16-17(19-18(12)20(27)25-21(19)28)13-7-10(23-9-26)5-6-15(13)24-16/h1-9,24H,(H,23,26)(H,25,27,28)
InChIKey
JWZVNUNTFNELHL-UHFFFAOYSA-N
Compound name
N-[4-(2-chlorophenyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazol-9-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

389.05673 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.06401 189.5
[M+Na]+ 412.04595 202.1
[M-H]- 388.04945 195.7
[M+NH4]+ 407.09055 204.5
[M+K]+ 428.01989 192.6
[M+H-H2O]+ 372.05399 182.3
[M+HCOO]- 434.05493 203.8
[M+CH3COO]- 448.07058 200.0
[M+Na-2H]- 410.03140 191.1
[M]+ 389.05618 193.1
[M]- 389.05728 193.1
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