CID 461168

74618-46-5

Structural Information

Molecular Formula
C17H17NO4
SMILES
CC1=C(C(=C2N1CC3=CC=CC=C3C2)C(=O)OC)C(=O)OC
InChI
InChI=1S/C17H17NO4/c1-10-14(16(19)21-2)15(17(20)22-3)13-8-11-6-4-5-7-12(11)9-18(10)13/h4-7H,8-9H2,1-3H3
InChIKey
MKHVRXTUXNLZRI-UHFFFAOYSA-N
Compound name
dimethyl 3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinoline-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

299.11575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 168.1
[M+Na]+ 322.10497 177.0
[M-H]- 298.10847 172.7
[M+NH4]+ 317.14957 186.2
[M+K]+ 338.07891 174.1
[M+H-H2O]+ 282.11301 161.4
[M+HCOO]- 344.11395 186.7
[M+CH3COO]- 358.12960 205.1
[M+Na-2H]- 320.09042 169.7
[M]+ 299.11520 172.7
[M]- 299.11630 172.7
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.