CID 3055511

72549-74-7

Structural Information

Molecular Formula
C21H20N4
SMILES
CC1=NC2=C(C(=N1)NCCC3=CC=CC=C3)NC(=C2)C4=CC=CC=C4
InChI
InChI=1S/C21H20N4/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/h2-11,14,25H,12-13H2,1H3,(H,22,23,24)
InChIKey
LALPQBXVEXKTEC-UHFFFAOYSA-N
Compound name
2-methyl-6-phenyl-N-(2-phenylethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1688 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17608 178.1
[M+Na]+ 351.15802 186.8
[M-H]- 327.16152 184.0
[M+NH4]+ 346.20262 189.6
[M+K]+ 367.13196 178.1
[M+H-H2O]+ 311.16606 167.1
[M+HCOO]- 373.16700 198.8
[M+CH3COO]- 387.18265 188.1
[M+Na-2H]- 349.14347 184.1
[M]+ 328.16825 178.1
[M]- 328.16935 178.1
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.