CID 506807

L-prolinamide, n-[(1,2,3,4-tetrahydro-9-acridinyl)carbonyl]-l-valyl-n-[(1s)-1-formylpropyl]-4-(phenylmethoxy)-, (4r)-

Structural Information

Molecular Formula
C35H42N4O5
SMILES
CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)C2=C3CCCCC3=NC4=CC=CC=C42)OCC5=CC=CC=C5
InChI
InChI=1S/C35H42N4O5/c1-4-24(20-40)36-33(41)30-18-25(44-21-23-12-6-5-7-13-23)19-39(30)35(43)32(22(2)3)38-34(42)31-26-14-8-10-16-28(26)37-29-17-11-9-15-27(29)31/h5-8,10,12-14,16,20,22,24-25,30,32H,4,9,11,15,17-19,21H2,1-3H3,(H,36,41)(H,38,42)/t24-,25+,30-,32-/m0/s1
InChIKey
HFVSVQVZBFLXHS-ZVUPFLOZSA-N
Compound name
N-[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[[(2S)-1-oxobutan-2-yl]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]butan-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.3155 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.32278 242.0
[M+Na]+ 621.30472 238.1
[M-H]- 597.30822 247.6
[M+NH4]+ 616.34932 242.8
[M+K]+ 637.27866 234.8
[M+H-H2O]+ 581.31276 230.3
[M+HCOO]- 643.31370 249.4
[M+CH3COO]- 657.32935 267.6
[M+Na-2H]- 619.29017 234.7
[M]+ 598.31495 239.5
[M]- 598.31605 239.5
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.