CID 3087468

Brn 5766837

Structural Information

Molecular Formula
C19H22N4
SMILES
CC1=NC2=C(C(=N1)NC3CCCCC3)NC(=C2)C4=CC=CC=C4
InChI
InChI=1S/C19H22N4/c1-13-20-17-12-16(14-8-4-2-5-9-14)23-18(17)19(21-13)22-15-10-6-3-7-11-15/h2,4-5,8-9,12,15,23H,3,6-7,10-11H2,1H3,(H,20,21,22)
InChIKey
VNKBWHGHQFCBDW-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.18445 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.19173 172.3
[M+Na]+ 329.17367 178.8
[M-H]- 305.17717 177.3
[M+NH4]+ 324.21827 184.4
[M+K]+ 345.14761 171.2
[M+H-H2O]+ 289.18171 161.4
[M+HCOO]- 351.18265 189.5
[M+CH3COO]- 365.19830 181.6
[M+Na-2H]- 327.15912 176.2
[M]+ 306.18390 167.4
[M]- 306.18500 167.4
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.