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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.