CID 467905

Chembl171765

Structural Information

Molecular Formula
C18H25N5
SMILES
CCC(CC)N1C2=C(C=C1C(C)C)C3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C18H25N5/c1-5-11(6-2)23-14-8-7-13-16(17(19)22-18(20)21-13)12(14)9-15(23)10(3)4/h7-11H,5-6H2,1-4H3,(H4,19,20,21,22)
InChIKey
CMDIFEGBCSWKEJ-UHFFFAOYSA-N
Compound name
7-pentan-3-yl-8-propan-2-ylpyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

311.211 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.21828 179.7
[M+Na]+ 334.20022 189.2
[M-H]- 310.20372 181.4
[M+NH4]+ 329.24482 194.2
[M+K]+ 350.17416 183.5
[M+H-H2O]+ 294.20826 171.1
[M+HCOO]- 356.20920 197.9
[M+CH3COO]- 370.22485 189.8
[M+Na-2H]- 332.18567 180.6
[M]+ 311.21045 181.6
[M]- 311.21155 181.6
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.