CID 467896

Tcmdc-137856

Structural Information

Molecular Formula
C15H19N5
SMILES
CCN1C2=C(C=C1C(C)C)C3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C15H19N5/c1-4-20-11-6-5-10-13(14(16)19-15(17)18-10)9(11)7-12(20)8(2)3/h5-8H,4H2,1-3H3,(H4,16,17,18,19)
InChIKey
NNNLFGJHIHGHAH-UHFFFAOYSA-N
Compound name
7-ethyl-8-propan-2-ylpyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

269.16403 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17131 165.7
[M+Na]+ 292.15325 177.0
[M-H]- 268.15675 167.8
[M+NH4]+ 287.19785 182.1
[M+K]+ 308.12719 171.3
[M+H-H2O]+ 252.16129 157.5
[M+HCOO]- 314.16223 186.0
[M+CH3COO]- 328.17788 177.3
[M+Na-2H]- 290.13870 169.4
[M]+ 269.16348 167.2
[M]- 269.16458 167.2
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

No patent data available for this compound.