CID 24838428

88393-06-0

Structural Information

Molecular Formula
C24H28N6O5
SMILES
CCCC(CC1=NC2=C(C=C1)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C24H28N6O5/c1-2-3-15(12-16-8-9-17-20(27-16)21(25)30-24(26)29-17)13-4-6-14(7-5-13)22(33)28-18(23(34)35)10-11-19(31)32/h4-9,15,18H,2-3,10-12H2,1H3,(H,28,33)(H,31,32)(H,34,35)(H4,25,26,29,30)/t15?,18-/m0/s1
InChIKey
OIYNQSWZWOFEGU-PKHIMPSTSA-N
Compound name
(2S)-2-[[4-[1-(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)pentan-2-yl]benzoyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.21213 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.21941 213.4
[M+Na]+ 503.20135 215.2
[M-H]- 479.20485 213.3
[M+NH4]+ 498.24595 214.3
[M+K]+ 519.17529 211.6
[M+H-H2O]+ 463.20939 202.6
[M+HCOO]- 525.21033 225.4
[M+CH3COO]- 539.22598 245.6
[M+Na-2H]- 501.18680 211.5
[M]+ 480.21158 212.1
[M]- 480.21268 212.1
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.