CID 22222458

299916-98-6

Structural Information

Molecular Formula
C21H20N4O2
SMILES
C1=CC=C(C=C1)COCN2C=CC3=C2C(=NC(=N3)N)OCC4=CC=CC=C4
InChI
InChI=1S/C21H20N4O2/c22-21-23-18-11-12-25(15-26-13-16-7-3-1-4-8-16)19(18)20(24-21)27-14-17-9-5-2-6-10-17/h1-12H,13-15H2,(H2,22,23,24)
InChIKey
CWFBINLAKHISQU-UHFFFAOYSA-N
Compound name
4-phenylmethoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

360.15863 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16591 184.5
[M+Na]+ 383.14785 193.0
[M-H]- 359.15135 191.2
[M+NH4]+ 378.19245 194.8
[M+K]+ 399.12179 186.3
[M+H-H2O]+ 343.15589 172.7
[M+HCOO]- 405.15683 206.3
[M+CH3COO]- 419.17248 194.5
[M+Na-2H]- 381.13330 189.9
[M]+ 360.15808 187.9
[M]- 360.15918 187.9
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

patents stripe