CID 497862

Fgfr-nh2

Structural Information

Molecular Formula
C26H36N8O4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N
InChI
InChI=1S/C26H36N8O4/c27-19(14-17-8-3-1-4-9-17)24(37)32-16-22(35)33-21(15-18-10-5-2-6-11-18)25(38)34-20(23(28)36)12-7-13-31-26(29)30/h1-6,8-11,19-21H,7,12-16,27H2,(H2,28,36)(H,32,37)(H,33,35)(H,34,38)(H4,29,30,31)/t19-,20-,21-/m0/s1
InChIKey
KQZCVAKWNVZVLB-ACRUOGEOSA-N
Compound name
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

524.28595 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.29323 224.0
[M+Na]+ 547.27517 217.9
[M-H]- 523.27867 227.7
[M+NH4]+ 542.31977 225.2
[M+K]+ 563.24911 219.0
[M+H-H2O]+ 507.28321 211.9
[M+HCOO]- 569.28415 245.0
[M+CH3COO]- 583.29980 269.4
[M+Na-2H]- 545.26062 218.2
[M]+ 524.28540 216.6
[M]- 524.28650 216.6
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.