CID 131560

Remifentanil acid

Structural Information

Molecular Formula
C19H26N2O5
SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)O)C(=O)OC
InChI
InChI=1S/C19H26N2O5/c1-3-16(22)21(15-7-5-4-6-8-15)19(18(25)26-2)10-13-20(14-11-19)12-9-17(23)24/h4-8H,3,9-14H2,1-2H3,(H,23,24)
InChIKey
GFJKFSFFMHOISI-UHFFFAOYSA-N
Compound name
3-[4-methoxycarbonyl-4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

145
Patents

362.18417 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.19145 185.4
[M+Na]+ 385.17339 187.1
[M-H]- 361.17689 189.2
[M+NH4]+ 380.21799 197.2
[M+K]+ 401.14733 186.5
[M+H-H2O]+ 345.18143 176.9
[M+HCOO]- 407.18237 201.1
[M+CH3COO]- 421.19802 216.6
[M+Na-2H]- 383.15884 184.8
[M]+ 362.18362 185.0
[M]- 362.18472 185.0
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