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]+ 366.192456 185.6
[M+Na]+ 388.174398 189.9
[M-H]- 364.177904 192.2
[M+NH4]+ 383.219003 196.0
[M+K]+ 404.148338 185.9
[M+H-H2O]+ 348.182440 174.4
[M+HCOO]- 410.183381 208.3
[M+CH3COO]- 424.199031 218.3
[M+Na-2H]- 386.159846 186.1
[M]+ 365.18463142 187.3
[M]- 365.18572858 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

literature stripe

Patent stripe

patents stripe