CID 9571514

Nsc676318

Structural Information

Molecular Formula
C19H25N5O2
SMILES
C1C(CC1(CNC2=NC(=NC=C2/C=N/O)N)CO)CCC3=CC=CC=C3
InChI
InChI=1S/C19H25N5O2/c20-18-21-10-16(11-23-26)17(24-18)22-12-19(13-25)8-15(9-19)7-6-14-4-2-1-3-5-14/h1-5,10-11,15,25-26H,6-9,12-13H2,(H3,20,21,22,24)/b23-11+
InChIKey
KIVFUQCQDIUXCF-FOKLQQMPSA-N
Compound name
[1-[[[2-amino-5-[(E)-hydroxyiminomethyl]pyrimidin-4-yl]amino]methyl]-3-(2-phenylethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.20084 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.208116 189.0
[M+Na]+ 378.190058 191.9
[M-H]- 354.193564 193.2
[M+NH4]+ 373.234663 192.4
[M+K]+ 394.163998 190.0
[M+H-H2O]+ 338.198100 172.3
[M+HCOO]- 400.199041 208.1
[M+CH3COO]- 414.214691 220.9
[M+Na-2H]- 376.175506 192.4
[M]+ 355.20029142 194.8
[M]- 355.20138858 194.8
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.