CID 508831

2-amino-5-chloro-n-[2-[[(3r)-1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C19H24ClN5O3
SMILES
CC1=C(C(=NO1)C)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=C(C=CC(=C3)Cl)N
InChI
InChI=1S/C19H24ClN5O3/c1-11-16(12(2)28-24-11)10-25-6-5-14(9-25)23-18(26)8-22-19(27)15-7-13(20)3-4-17(15)21/h3-4,7,14H,5-6,8-10,21H2,1-2H3,(H,22,27)(H,23,26)/t14-/m1/s1
InChIKey
KRUMBANHMUOUMV-CQSZACIVSA-N
Compound name
2-amino-5-chloro-N-[2-[[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.15677 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.16405 199.9
[M+Na]+ 428.14599 205.4
[M-H]- 404.14949 208.0
[M+NH4]+ 423.19059 210.0
[M+K]+ 444.11993 201.3
[M+H-H2O]+ 388.15403 190.9
[M+HCOO]- 450.15497 215.8
[M+CH3COO]- 464.17062 228.6
[M+Na-2H]- 426.13144 195.7
[M]+ 405.15622 201.3
[M]- 405.15732 201.3
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.