CID 38974

5h-cyclohept(b)indole, 6,7,8,9,10-pentahydro-2-methoxy-5-(2-pyrrolidinoethyl)-, oxalate

Structural Information

Molecular Formula
C20H28N2O
SMILES
COC1=CC2=C(C=C1)N(C3=C2CCCCC3)CCN4CCCC4
InChI
InChI=1S/C20H28N2O/c1-23-16-9-10-20-18(15-16)17-7-3-2-4-8-19(17)22(20)14-13-21-11-5-6-12-21/h9-10,15H,2-8,11-14H2,1H3
InChIKey
NGGMXWSBENRTHI-UHFFFAOYSA-N
Compound name
2-methoxy-5-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.22015 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.22743 177.3
[M+Na]+ 335.20937 182.7
[M-H]- 311.21287 183.8
[M+NH4]+ 330.25397 193.8
[M+K]+ 351.18331 179.7
[M+H-H2O]+ 295.21741 169.0
[M+HCOO]- 357.21835 193.6
[M+CH3COO]- 371.23400 186.9
[M+Na-2H]- 333.19482 176.4
[M]+ 312.21960 173.8
[M]- 312.22070 173.8
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.