CID 6540255

6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CC1=CC2=C(C=C1)N(C3=C2C4=C(C(=C3)C)C(=O)NC4=O)CCCN
InChI
InChI=1S/C19H19N3O2/c1-10-4-5-13-12(8-10)16-14(22(13)7-3-6-20)9-11(2)15-17(16)19(24)21-18(15)23/h4-5,8-9H,3,6-7,20H2,1-2H3,(H,21,23,24)
InChIKey
PKPNSCZPIWCHMW-UHFFFAOYSA-N
Compound name
6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.14774 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 177.7
[M+Na]+ 344.13696 189.8
[M-H]- 320.14046 181.5
[M+NH4]+ 339.18156 196.0
[M+K]+ 360.11090 182.4
[M+H-H2O]+ 304.14500 171.2
[M+HCOO]- 366.14594 196.6
[M+CH3COO]- 380.16159 189.2
[M+Na-2H]- 342.12241 178.1
[M]+ 321.14719 180.9
[M]- 321.14829 180.9
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