CID 467902

Tcmdc-137309

Structural Information

Molecular Formula
C17H23N5
SMILES
CCC1=CC2=C(N1C(CC)CC)C=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C17H23N5/c1-4-10(5-2)22-11(6-3)9-12-14(22)8-7-13-15(12)16(18)21-17(19)20-13/h7-10H,4-6H2,1-3H3,(H4,18,19,20,21)
InChIKey
ZFVBZXLFBOQGBY-UHFFFAOYSA-N
Compound name
8-ethyl-7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

297.19534 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.20262 174.7
[M+Na]+ 320.18456 185.1
[M-H]- 296.18806 176.5
[M+NH4]+ 315.22916 189.9
[M+K]+ 336.15850 178.9
[M+H-H2O]+ 280.19260 166.1
[M+HCOO]- 342.19354 194.3
[M+CH3COO]- 356.20919 185.4
[M+Na-2H]- 318.17001 177.4
[M]+ 297.19479 176.9
[M]- 297.19589 176.9
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

patents stripe