CID 2536

Camostat

Structural Information

Molecular Formula
C20H22N4O5
SMILES
CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N
InChI
InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
InChIKey
XASIMHXSUQUHLV-UHFFFAOYSA-N
Compound name
[4-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

376
References

6106
Patents

398.15903 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.16631 193.8
[M+Na]+ 421.14825 200.4
[M+NH4]+ 416.19285 196.9
[M+K]+ 437.12219 197.7
[M-H]- 397.15175 196.7
[M+Na-2H]- 419.13370 198.0
[M]+ 398.15848 194.8
[M]- 398.15958 194.8
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