CID 3087464

Brn 5587589

Structural Information

Molecular Formula
C15H16N4O
SMILES
CC1=NC2=C(C(=N1)NCCO)NC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H16N4O/c1-10-17-13-9-12(11-5-3-2-4-6-11)19-14(13)15(18-10)16-7-8-20/h2-6,9,19-20H,7-8H2,1H3,(H,16,17,18)
InChIKey
UJMZTUYPZBPKJJ-UHFFFAOYSA-N
Compound name
2-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13242 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13970 160.7
[M+Na]+ 291.12164 170.3
[M-H]- 267.12514 162.7
[M+NH4]+ 286.16624 174.6
[M+K]+ 307.09558 163.5
[M+H-H2O]+ 251.12968 151.7
[M+HCOO]- 313.13062 181.1
[M+CH3COO]- 327.14627 171.7
[M+Na-2H]- 289.10709 167.2
[M]+ 268.13187 161.0
[M]- 268.13297 161.0
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.