CID 91873357

78117-09-6

Structural Information

Molecular Formula
C25H29N5O4
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C25H29N5O4/c1-33-22-15-19(14-18-10-5-6-11-20(18)22)29-23(31)21(12-7-13-28-24(26)27)30-25(32)34-16-17-8-3-2-4-9-17/h2-6,8-11,14-15,21H,7,12-13,16H2,1H3,(H,29,31)(H,30,32)(H4,26,27,28)/t21-/m0/s1
InChIKey
GTCAXNMYHHVBSK-NRFANRHFSA-N
Compound name
benzyl N-[(2S)-5-(diaminomethylideneamino)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.22195 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.22923 212.8
[M+Na]+ 486.21117 219.2
[M+NH4]+ 481.25577 216.4
[M+K]+ 502.18511 214.2
[M-H]- 462.21467 217.4
[M+Na-2H]- 484.19662 217.1
[M]+ 463.22140 214.3
[M]- 463.22250 214.3
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

No patent data available for this compound.