CID 385245

Nsc676358

Structural Information

Molecular Formula
C9H14ClN5O
SMILES
C1CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO
InChI
InChI=1S/C9H14ClN5O/c10-6-5(11)7(15-8(12)14-6)13-3-9(4-16)1-2-9/h16H,1-4,11H2,(H3,12,13,14,15)
InChIKey
JMPCYORLURZTSM-UHFFFAOYSA-N
Compound name
[1-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08868 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09596 150.5
[M+Na]+ 266.07790 160.9
[M-H]- 242.08140 153.7
[M+NH4]+ 261.12250 161.9
[M+K]+ 282.05184 154.7
[M+H-H2O]+ 226.08594 144.7
[M+HCOO]- 288.08688 168.9
[M+CH3COO]- 302.10253 198.2
[M+Na-2H]- 264.06335 156.3
[M]+ 243.08813 151.7
[M]- 243.08923 151.7
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.