CID 485065

6-chloro-9h-indeno[2,1-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C11H9ClN4
SMILES
C1C2=C(C=C(C=C2)Cl)C3=C1N=C(N=C3N)N
InChI
InChI=1S/C11H9ClN4/c12-6-2-1-5-3-8-9(7(5)4-6)10(13)16-11(14)15-8/h1-2,4H,3H2,(H4,13,14,15,16)
InChIKey
NSEHZWSBNSDHGP-UHFFFAOYSA-N
Compound name
6-chloro-9H-indeno[2,1-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

232.05157 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05885 148.8
[M+Na]+ 255.04079 161.0
[M-H]- 231.04429 151.7
[M+NH4]+ 250.08539 168.5
[M+K]+ 271.01473 154.5
[M+H-H2O]+ 215.04883 142.2
[M+HCOO]- 277.04977 166.7
[M+CH3COO]- 291.06542 161.8
[M+Na-2H]- 253.02624 155.0
[M]+ 232.05102 149.3
[M]- 232.05212 149.3
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.