CID 465121

Diisopropyl 3-methyl-2,3,3a,4,6,10c-hexahydro-1h-pyrrolo[3,4-c]carbazole-5,5-dicarboxylate

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CC1C2CC(C3=C(C2CN1)C4=CC=CC=C4N3)(C(=O)OC(C)C)C(=O)OC(C)C
InChI
InChI=1S/C23H30N2O4/c1-12(2)28-21(26)23(22(27)29-13(3)4)10-16-14(5)24-11-17(16)19-15-8-6-7-9-18(15)25-20(19)23/h6-9,12-14,16-17,24-25H,10-11H2,1-5H3
InChIKey
MSLIHTIPOIIXFO-UHFFFAOYSA-N
Compound name
dipropan-2-yl 3-methyl-2,3,3a,4,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole-5,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.22055 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22783 199.5
[M+Na]+ 421.20977 204.8
[M-H]- 397.21327 200.2
[M+NH4]+ 416.25437 215.0
[M+K]+ 437.18371 200.3
[M+H-H2O]+ 381.21781 193.4
[M+HCOO]- 443.21875 208.4
[M+CH3COO]- 457.23440 220.6
[M+Na-2H]- 419.19522 195.1
[M]+ 398.22000 200.2
[M]- 398.22110 200.2
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.