CID 385218

Nsc676331

Structural Information

Molecular Formula
C10H13ClN4
SMILES
C=C1CC(C1)CNC2=CC(=NC(=N2)N)Cl
InChI
InChI=1S/C10H13ClN4/c1-6-2-7(3-6)5-13-9-4-8(11)14-10(12)15-9/h4,7H,1-3,5H2,(H3,12,13,14,15)
InChIKey
RBQFDJGWIRFXIN-UHFFFAOYSA-N
Compound name
6-chloro-4-N-[(3-methylidenecyclobutyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.08287 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09015 149.5
[M+Na]+ 247.07209 156.8
[M-H]- 223.07559 152.6
[M+NH4]+ 242.11669 158.9
[M+K]+ 263.04603 154.7
[M+H-H2O]+ 207.08013 136.1
[M+HCOO]- 269.08107 166.1
[M+CH3COO]- 283.09672 196.3
[M+Na-2H]- 245.05754 153.5
[M]+ 224.08232 156.2
[M]- 224.08342 156.2
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

patents stripe