CID 5747163

Brn 5045902

Structural Information

Molecular Formula
C12H15N5
SMILES
CCCCNC1=NC(=NC2=C1NC=C2C#N)C
InChI
InChI=1S/C12H15N5/c1-3-4-5-14-12-11-10(16-8(2)17-12)9(6-13)7-15-11/h7,15H,3-5H2,1-2H3,(H,14,16,17)
InChIKey
RFPVVIGJADVDIW-UHFFFAOYSA-N
Compound name
4-(butylamino)-2-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13275 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14003 151.3
[M+Na]+ 252.12197 162.2
[M-H]- 228.12547 149.8
[M+NH4]+ 247.16657 165.6
[M+K]+ 268.09591 156.6
[M+H-H2O]+ 212.13001 136.0
[M+HCOO]- 274.13095 168.4
[M+CH3COO]- 288.14660 161.3
[M+Na-2H]- 250.10742 156.4
[M]+ 229.13220 147.5
[M]- 229.13330 147.5
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.