CID 126615756

Kp-302

Structural Information

Molecular Formula
C20H23N5O2
SMILES
CN1C=CC=C1C(=O)N[C@@H](CCN2C=CN=C2)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C20H23N5O2/c1-24-11-5-8-18(24)20(27)23-17(9-12-25-13-10-21-15-25)19(26)22-14-16-6-3-2-4-7-16/h2-8,10-11,13,15,17H,9,12,14H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1
InChIKey
XLISVTDEJLYVTB-KRWDZBQOSA-N
Compound name
N-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]-1-methylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

365.18518 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19246 185.6
[M+Na]+ 388.17440 189.9
[M-H]- 364.17790 192.2
[M+NH4]+ 383.21900 196.0
[M+K]+ 404.14834 185.9
[M+H-H2O]+ 348.18244 174.4
[M+HCOO]- 410.18338 208.3
[M+CH3COO]- 424.19903 218.3
[M+Na-2H]- 386.15985 186.1
[M]+ 365.18463 187.3
[M]- 365.18573 187.3
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.