CID 17398103

Nadroparin calcium

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C
InChI
InChI=1S/C15H20N2O4/c1-10(2)21-15(20)12-4-6-13(7-5-12)17-14(19)8-9-16-11(3)18/h4-7,10H,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKey
DGFRFFUYFKXWRR-UHFFFAOYSA-N
Compound name
propan-2-yl 4-(3-acetamidopropanoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

522
References

0
Patents

292.1423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14958 169.4
[M+Na]+ 315.13152 173.2
[M-H]- 291.13502 172.5
[M+NH4]+ 310.17612 183.9
[M+K]+ 331.10546 172.4
[M+H-H2O]+ 275.13956 161.8
[M+HCOO]- 337.14050 191.5
[M+CH3COO]- 351.15615 207.8
[M+Na-2H]- 313.11697 169.5
[M]+ 292.14175 171.2
[M]- 292.14285 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.