CID 3013096

Hcv-371

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CCC[C@]1(C2=C(CCO1)C3=C(C=CC(=C3N2)C)C#N)CC(=O)O
InChI
InChI=1S/C18H20N2O3/c1-3-7-18(9-14(21)22)17-13(6-8-23-18)15-12(10-19)5-4-11(2)16(15)20-17/h4-5,20H,3,6-9H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKey
JXZYSNWHGBGZAI-GOSISDBHSA-N
Compound name
2-[(1R)-5-cyano-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

200
Patents

312.1474 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 173.1
[M+Na]+ 335.13662 184.3
[M+NH4]+ 330.18122 177.7
[M+K]+ 351.11056 175.1
[M-H]- 311.14012 167.3
[M+Na-2H]- 333.12207 173.5
[M]+ 312.14685 172.3
[M]- 312.14795 172.3
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