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]+ 356.20812 189.0
[M+Na]+ 378.19006 191.9
[M-H]- 354.19356 193.2
[M+NH4]+ 373.23466 192.4
[M+K]+ 394.16400 190.0
[M+H-H2O]+ 338.19810 172.3
[M+HCOO]- 400.19904 208.1
[M+CH3COO]- 414.21469 220.9
[M+Na-2H]- 376.17551 192.4
[M]+ 355.20029 194.8
[M]- 355.20139 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.