CID 467894

Tcmdc-137851

Structural Information

Molecular Formula
C14H17N5
SMILES
CCC1=CC2=C(N1CC)C=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C14H17N5/c1-3-8-7-9-11(19(8)4-2)6-5-10-12(9)13(15)18-14(16)17-10/h5-7H,3-4H2,1-2H3,(H4,15,16,17,18)
InChIKey
HBRNPAQKCVTVRI-UHFFFAOYSA-N
Compound name
7,8-diethylpyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

255.14839 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15567 160.5
[M+Na]+ 278.13761 172.6
[M-H]- 254.14111 162.7
[M+NH4]+ 273.18221 177.6
[M+K]+ 294.11155 166.6
[M+H-H2O]+ 238.14565 152.3
[M+HCOO]- 300.14659 182.2
[M+CH3COO]- 314.16224 172.7
[M+Na-2H]- 276.12306 165.9
[M]+ 255.14784 162.3
[M]- 255.14894 162.3
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.