CID 374880

Nsc653416

Structural Information

Molecular Formula
C11H14Cl2N8
SMILES
C1=NC(=C(C(=N1)Cl)N)NCCCNC2=C(C(=NC=N2)Cl)N
InChI
InChI=1S/C11H14Cl2N8/c12-8-6(14)10(20-4-18-8)16-2-1-3-17-11-7(15)9(13)19-5-21-11/h4-5H,1-3,14-15H2,(H,16,18,20)(H,17,19,21)
InChIKey
YMZUTKAVZIOQJH-UHFFFAOYSA-N
Compound name
4-N-[3-[(5-amino-6-chloropyrimidin-4-yl)amino]propyl]-6-chloropyrimidine-4,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

328.07184 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07912 172.6
[M+Na]+ 351.06106 181.7
[M-H]- 327.06456 173.0
[M+NH4]+ 346.10566 181.3
[M+K]+ 367.03500 174.3
[M+H-H2O]+ 311.06910 162.9
[M+HCOO]- 373.07004 185.6
[M+CH3COO]- 387.08569 181.4
[M+Na-2H]- 349.04651 178.2
[M]+ 328.07129 172.7
[M]- 328.07239 172.7
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

patents stripe