CID 5272356

Glycinamide, n-[(1,1-dimethylethoxy)carbonyl]glycyl-n1-[4-(2-amino-4-thiazolyl)phenyl]-n2-(phenylmethyl)-

Structural Information

Molecular Formula
C25H29N5O4S
SMILES
CC(C)(C)OC(=O)NCC(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C25H29N5O4S/c1-25(2,3)34-24(33)27-13-22(32)30(14-17-7-5-4-6-8-17)15-21(31)28-19-11-9-18(10-12-19)20-16-35-23(26)29-20/h4-12,16H,13-15H2,1-3H3,(H2,26,29)(H,27,33)(H,28,31)
InChIKey
IURMLWNJNVDNSQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-benzylamino]-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.19403 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.20131 218.8
[M+Na]+ 518.18325 219.8
[M-H]- 494.18675 227.5
[M+NH4]+ 513.22785 225.1
[M+K]+ 534.15719 217.0
[M+H-H2O]+ 478.19129 208.4
[M+HCOO]- 540.19223 235.9
[M+CH3COO]- 554.20788 247.7
[M+Na-2H]- 516.16870 217.9
[M]+ 495.19348 221.7
[M]- 495.19458 221.7
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.