CID 6483663

2-(2-dimethylaminoethyl)-6-methyl-5-phenyl-pyrrolo[3,4-c]carbazole-1,3-dione

Structural Information

Molecular Formula
C25H23N3O2
SMILES
CN1C2=CC=CC=C2C3=C1C(=CC4=C3C(=O)N(C4=O)CCN(C)C)C5=CC=CC=C5
InChI
InChI=1S/C25H23N3O2/c1-26(2)13-14-28-24(29)19-15-18(16-9-5-4-6-10-16)23-21(22(19)25(28)30)17-11-7-8-12-20(17)27(23)3/h4-12,15H,13-14H2,1-3H3
InChIKey
WSPOAHSFFIVRRO-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-6-methyl-5-phenylpyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.17902 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.18630 199.1
[M+Na]+ 420.16824 209.8
[M-H]- 396.17174 208.6
[M+NH4]+ 415.21284 214.8
[M+K]+ 436.14218 203.1
[M+H-H2O]+ 380.17628 189.8
[M+HCOO]- 442.17722 219.5
[M+CH3COO]- 456.19287 209.9
[M+Na-2H]- 418.15369 198.5
[M]+ 397.17847 205.1
[M]- 397.17957 205.1
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.