CID 10338288

915312-54-8

Structural Information

Molecular Formula
C22H21N5
SMILES
CC(CC1=CNC2=NC(=NC(=C12)N)N)C3=CC4=C(C=C3)C5=CC=CC=C5C4
InChI
InChI=1S/C22H21N5/c1-12(8-16-11-25-21-19(16)20(23)26-22(24)27-21)13-6-7-18-15(9-13)10-14-4-2-3-5-17(14)18/h2-7,9,11-12H,8,10H2,1H3,(H5,23,24,25,26,27)
InChIKey
YJUBVQPRJZHKKA-UHFFFAOYSA-N
Compound name
5-[2-(9H-fluoren-2-yl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.1797 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18698 183.5
[M+Na]+ 378.16892 193.3
[M-H]- 354.17242 188.7
[M+NH4]+ 373.21352 197.7
[M+K]+ 394.14286 184.8
[M+H-H2O]+ 338.17696 174.6
[M+HCOO]- 400.17790 201.8
[M+CH3COO]- 414.19355 193.3
[M+Na-2H]- 376.15437 185.7
[M]+ 355.17915 183.2
[M]- 355.18025 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.