CID 3052044

Leucine, n-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, l-

Structural Information

Molecular Formula
C21H26N8O3
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N
InChI
InChI=1S/C21H26N8O3/c1-11(2)8-15(20(31)32)26-19(30)12-4-6-14(7-5-12)29(3)10-13-9-24-18-16(25-13)17(22)27-21(23)28-18/h4-7,9,11,15H,8,10H2,1-3H3,(H,26,30)(H,31,32)(H4,22,23,24,27,28)/t15-/m0/s1
InChIKey
CMNDVEHSLPVMOY-HNNXBMFYSA-N
Compound name
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

438.2128 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.22008 201.2
[M+Na]+ 461.20202 209.2
[M+NH4]+ 456.24662 203.2
[M+K]+ 477.17596 207.4
[M-H]- 437.20552 202.9
[M+Na-2H]- 459.18747 204.7
[M]+ 438.21225 202.1
[M]- 438.21335 202.1
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.