CID 86101

Epidepride

Structural Information

Molecular Formula
C16H23IN2O3
SMILES
CCN1CCC[C@H]1CNC(=O)C2=C(C(=CC(=C2)I)OC)OC
InChI
InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKey
APNNSBJHVTUORL-LBPRGKRZSA-N
Compound name
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

100
References

58
Patents

418.07535 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.08263 184.1
[M+Na]+ 441.06457 182.9
[M-H]- 417.06807 182.1
[M+NH4]+ 436.10917 194.5
[M+K]+ 457.03851 186.1
[M+H-H2O]+ 401.07261 172.4
[M+HCOO]- 463.07355 199.8
[M+CH3COO]- 477.08920 216.0
[M+Na-2H]- 439.05002 170.9
[M]+ 418.07480 183.3
[M]- 418.07590 183.3
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