CID 3087467

Brn 5623620

Structural Information

Molecular Formula
C21H26N4
SMILES
CC1=NC2=C(C(=N1)NCCC3CCCCC3)NC(=C2)C4=CC=CC=C4
InChI
InChI=1S/C21H26N4/c1-15-23-19-14-18(17-10-6-3-7-11-17)25-20(19)21(24-15)22-13-12-16-8-4-2-5-9-16/h3,6-7,10-11,14,16,25H,2,4-5,8-9,12-13H2,1H3,(H,22,23,24)
InChIKey
XWHMOMRRFYQSIL-UHFFFAOYSA-N
Compound name
N-(2-cyclohexylethyl)-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

334.21576 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22304 180.9
[M+Na]+ 357.20498 186.4
[M-H]- 333.20848 185.5
[M+NH4]+ 352.24958 191.8
[M+K]+ 373.17892 178.4
[M+H-H2O]+ 317.21302 169.5
[M+HCOO]- 379.21396 197.3
[M+CH3COO]- 393.22961 189.3
[M+Na-2H]- 355.19043 183.7
[M]+ 334.21521 176.6
[M]- 334.21631 176.6
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.