CID 6436042

Cinpropazide

Structural Information

Molecular Formula
C21H31N3O5
SMILES
CC(C)NC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C21H31N3O5/c1-15(2)22-19(25)14-23-8-10-24(11-9-23)20(26)7-6-16-12-17(27-3)21(29-5)18(13-16)28-4/h6-7,12-13,15H,8-11,14H2,1-5H3,(H,22,25)/b7-6+
InChIKey
SGDDXBVRZYARLT-VOTSOKGWSA-N
Compound name
N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

46
Patents

405.22638 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.233656 198.8
[M+Na]+ 428.215598 201.6
[M-H]- 404.219104 201.6
[M+NH4]+ 423.260203 206.3
[M+K]+ 444.189538 199.5
[M+H-H2O]+ 388.223640 188.7
[M+HCOO]- 450.224581 213.4
[M+CH3COO]- 464.240231 228.0
[M+Na-2H]- 426.201046 195.0
[M]+ 405.22583142 200.9
[M]- 405.22692858 200.9
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