CID 46898058

1088965-37-0

Structural Information

Molecular Formula
C32H38ClN5O4
SMILES
C[C@@H](C1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)C[C@@H](CNC(=O)CN(C)C)NC(=O)C4=CC(=C(C=C4)OC(C)C)Cl)O
InChI
InChI=1S/C32H38ClN5O4/c1-20(2)42-29-13-12-24(16-27(29)33)32(41)35-25(17-34-30(40)19-37(4)5)15-22-8-10-23(11-9-22)28-18-38-14-6-7-26(21(3)39)31(38)36-28/h6-14,16,18,20-21,25,39H,15,17,19H2,1-5H3,(H,34,40)(H,35,41)/t21-,25-/m0/s1
InChIKey
WHMXDBPHBVLYRC-OFVILXPXSA-N
Compound name
3-chloro-N-[(2S)-1-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

357
Patents

591.2612 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.26848 244.0
[M+Na]+ 614.25042 254.1
[M+NH4]+ 609.29502 247.1
[M+K]+ 630.22436 250.3
[M-H]- 590.25392 248.7
[M+Na-2H]- 612.23587 248.8
[M]+ 591.26065 246.7
[M]- 591.26175 246.7
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