CID 7020112

123825-03-6

Structural Information

Molecular Formula
C22H31N3O3
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NC1=CC2=CC=CC=C2C(=C1)OC)N
InChI
InChI=1S/C22H31N3O3/c1-13(2)10-18(23)21(26)25-20(14(3)4)22(27)24-16-11-15-8-6-7-9-17(15)19(12-16)28-5/h6-9,11-14,18,20H,10,23H2,1-5H3,(H,24,27)(H,25,26)/t18-,20-/m0/s1
InChIKey
RBDNZERRIPHNKQ-ICSRJNTNSA-N
Compound name
(2S)-2-amino-N-[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.23654 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.24382 197.8
[M+Na]+ 408.22576 198.8
[M-H]- 384.22926 200.5
[M+NH4]+ 403.27036 208.8
[M+K]+ 424.19970 197.4
[M+H-H2O]+ 368.23380 189.5
[M+HCOO]- 430.23474 215.1
[M+CH3COO]- 444.25039 233.6
[M+Na-2H]- 406.21121 194.0
[M]+ 385.23599 197.6
[M]- 385.23709 197.6
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.