CID 65914

Abecarnil

Structural Information

Molecular Formula
C24H24N2O4
SMILES
CC(C)OC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,26H,13-14H2,1-3H3
InChIKey
RLFKILXOLJVUNF-UHFFFAOYSA-N
Compound name
propan-2-yl 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

115
References

742
Patents

404.1736 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18088 198.8
[M+Na]+ 427.16282 206.4
[M-H]- 403.16632 203.7
[M+NH4]+ 422.20742 209.8
[M+K]+ 443.13676 201.1
[M+H-H2O]+ 387.17086 188.8
[M+HCOO]- 449.17180 215.8
[M+CH3COO]- 463.18745 222.8
[M+Na-2H]- 425.14827 200.2
[M]+ 404.17305 205.1
[M]- 404.17415 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

literature stripe

Patent stripe

patents stripe