CID 385234

Nsc676347

Structural Information

Molecular Formula
C19H25ClN4O
SMILES
CC(C1(CC(C1)CCC2=CC=CC=C2)CNC3=CC(=NC(=N3)N)Cl)O
InChI
InChI=1S/C19H25ClN4O/c1-13(25)19(12-22-17-9-16(20)23-18(21)24-17)10-15(11-19)8-7-14-5-3-2-4-6-14/h2-6,9,13,15,25H,7-8,10-12H2,1H3,(H3,21,22,23,24)
InChIKey
GOUZDMVNRVLFRO-UHFFFAOYSA-N
Compound name
1-[1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(2-phenylethyl)cyclobutyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1717 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17898 187.9
[M+Na]+ 383.16092 192.5
[M-H]- 359.16442 192.0
[M+NH4]+ 378.20552 192.7
[M+K]+ 399.13486 189.1
[M+H-H2O]+ 343.16896 172.8
[M+HCOO]- 405.16990 200.6
[M+CH3COO]- 419.18555 219.2
[M+Na-2H]- 381.14637 189.3
[M]+ 360.17115 195.5
[M]- 360.17225 195.5
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.