CID 10392082

Zt7fap8zk4

Structural Information

Molecular Formula
C28H40N6O4
SMILES
CC(C)C[C@H]([C@H](CCCC1=CC=CC=C1)C(=O)NO)C(=O)N[C@@H](CC2=CC=C(C=C2)N=C(N)N)C(=O)NC
InChI
InChI=1S/C28H40N6O4/c1-18(2)16-23(22(26(36)34-38)11-7-10-19-8-5-4-6-9-19)25(35)33-24(27(37)31-3)17-20-12-14-21(15-13-20)32-28(29)30/h4-6,8-9,12-15,18,22-24,38H,7,10-11,16-17H2,1-3H3,(H,31,37)(H,33,35)(H,34,36)(H4,29,30,32)/t22-,23+,24-/m0/s1
InChIKey
QKOVHOITGZCHQW-VXNXHJTFSA-N
Compound name
(2R,3S)-N-[(2S)-3-[4-(diaminomethylideneamino)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-(3-phenylpropyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

524.3111 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.31838 229.9
[M+Na]+ 547.30032 230.3
[M+NH4]+ 542.34492 230.1
[M+K]+ 563.27426 229.0
[M-H]- 523.30382 231.6
[M+Na-2H]- 545.28577 230.1
[M]+ 524.31055 229.2
[M]- 524.31165 229.2
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