CID 6475962

6-methyl-7-[(e)-pent-2-enyl]-5h-cyclopenta[d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C13H18N4
SMILES
CC/C=C/CC1=C(CC2=C1N=C(N=C2N)N)C
InChI
InChI=1S/C13H18N4/c1-3-4-5-6-9-8(2)7-10-11(9)16-13(15)17-12(10)14/h4-5H,3,6-7H2,1-2H3,(H4,14,15,16,17)/b5-4+
InChIKey
IKXNLSUKGANGRV-SNAWJCMRSA-N
Compound name
6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.15315 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.16043 155.2
[M+Na]+ 253.14237 164.7
[M-H]- 229.14587 156.8
[M+NH4]+ 248.18697 173.4
[M+K]+ 269.11631 159.5
[M+H-H2O]+ 213.15041 147.7
[M+HCOO]- 275.15135 177.5
[M+CH3COO]- 289.16700 197.9
[M+Na-2H]- 251.12782 157.8
[M]+ 230.15260 154.5
[M]- 230.15370 154.5
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.