CID 3075663

Formamide, n-cyclopropyl-n-(9-cyclopropyl-9h-purin-6-yl)-

Structural Information

Molecular Formula
C12H13N5O
SMILES
C1CC1N2C=NC3=C2N=CN=C3N(C=O)C4CC4
InChI
InChI=1S/C12H13N5O/c18-7-17(9-3-4-9)12-10-11(13-5-14-12)16(6-15-10)8-1-2-8/h5-9H,1-4H2
InChIKey
PGFPDJZKPKEIIC-UHFFFAOYSA-N
Compound name
N-cyclopropyl-N-(9-cyclopropylpurin-6-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.11201 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11929 182.1
[M+Na]+ 266.10123 192.2
[M-H]- 242.10473 188.5
[M+NH4]+ 261.14583 186.4
[M+K]+ 282.07517 186.5
[M+H-H2O]+ 226.10927 173.4
[M+HCOO]- 288.11021 201.6
[M+CH3COO]- 302.12586 190.4
[M+Na-2H]- 264.08668 183.9
[M]+ 243.11146 187.3
[M]- 243.11256 187.3
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.