CID 467903

Chembl171629

Structural Information

Molecular Formula
C18H25N5
SMILES
CCCCC1=CC2=C(N1C(C)(C)C)C=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C18H25N5/c1-5-6-7-11-10-12-14(23(11)18(2,3)4)9-8-13-15(12)16(19)22-17(20)21-13/h8-10H,5-7H2,1-4H3,(H4,19,20,21,22)
InChIKey
DRZMRPPLYPKPTL-UHFFFAOYSA-N
Compound name
8-butyl-7-tert-butylpyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

311.211 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.21828 181.6
[M+Na]+ 334.20022 192.2
[M-H]- 310.20372 183.4
[M+NH4]+ 329.24482 196.4
[M+K]+ 350.17416 185.9
[M+H-H2O]+ 294.20826 173.4
[M+HCOO]- 356.20920 200.0
[M+CH3COO]- 370.22485 215.5
[M+Na-2H]- 332.18567 185.5
[M]+ 311.21045 184.0
[M]- 311.21155 184.0
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.