CID 71999

Proterguride

Structural Information

Molecular Formula
C22H32N4O
SMILES
CCCN1C[C@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)NC(=O)N(CC)CC
InChI
InChI=1S/C22H32N4O/c1-4-10-26-14-16(24-22(27)25(5-2)6-3)12-18-17-8-7-9-19-21(17)15(13-23-19)11-20(18)26/h7-9,13,16,18,20,23H,4-6,10-12,14H2,1-3H3,(H,24,27)/t16-,18+,20+/m0/s1
InChIKey
FCRJELOYDVBTGW-ILZDJORESA-N
Compound name
3-[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

862
Patents

368.2576 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.26488 191.3
[M+Na]+ 391.24682 200.9
[M+NH4]+ 386.29142 198.9
[M+K]+ 407.22076 195.3
[M-H]- 367.25032 193.6
[M+Na-2H]- 389.23227 192.1
[M]+ 368.25705 193.0
[M]- 368.25815 193.0
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