CID 467892

Tcmdc-137847

Structural Information

Molecular Formula
C13H15N5
SMILES
CC(C)C1=CC2=C(N1)C=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C13H15N5/c1-6(2)10-5-7-8(16-10)3-4-9-11(7)12(14)18-13(15)17-9/h3-6,16H,1-2H3,(H4,14,15,17,18)
InChIKey
QBTNJNGOMGJBPT-UHFFFAOYSA-N
Compound name
8-propan-2-yl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

241.13275 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.14003 155.4
[M+Na]+ 264.12197 166.3
[M-H]- 240.12547 156.2
[M+NH4]+ 259.16657 172.0
[M+K]+ 280.09591 160.3
[M+H-H2O]+ 224.13001 147.7
[M+HCOO]- 286.13095 175.0
[M+CH3COO]- 300.14660 167.0
[M+Na-2H]- 262.10742 160.7
[M]+ 241.13220 154.2
[M]- 241.13330 154.2
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.