CID 465115

Diisopropyl 3-formyl-2,3,4,9-tetrahydrocarbazole-1,1-dicarboxylate

Structural Information

Molecular Formula
C21H25NO5
SMILES
CC(C)OC(=O)C1(CC(CC2=C1NC3=CC=CC=C23)C=O)C(=O)OC(C)C
InChI
InChI=1S/C21H25NO5/c1-12(2)26-19(24)21(20(25)27-13(3)4)10-14(11-23)9-16-15-7-5-6-8-17(15)22-18(16)21/h5-8,11-14,22H,9-10H2,1-4H3
InChIKey
NHIAYYPONMWPQG-UHFFFAOYSA-N
Compound name
dipropan-2-yl 3-formyl-2,3,4,9-tetrahydrocarbazole-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.17328 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18056 188.4
[M+Na]+ 394.16250 194.5
[M-H]- 370.16600 190.8
[M+NH4]+ 389.20710 204.2
[M+K]+ 410.13644 191.5
[M+H-H2O]+ 354.17054 182.0
[M+HCOO]- 416.17148 202.3
[M+CH3COO]- 430.18713 216.2
[M+Na-2H]- 392.14795 187.4
[M]+ 371.17273 192.0
[M]- 371.17383 192.0
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

No patent data available for this compound.