CID 467893

8-tert-butyl-7h-pyrrolo[3,2-f]quinazoline-1,3-diamine

Structural Information

Molecular Formula
C14H17N5
SMILES
CC(C)(C)C1=CC2=C(N1)C=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C14H17N5/c1-14(2,3)10-6-7-8(17-10)4-5-9-11(7)12(15)19-13(16)18-9/h4-6,17H,1-3H3,(H4,15,16,18,19)
InChIKey
DGLVMTWZETZWPO-UHFFFAOYSA-N
Compound name
8-tert-butyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.14839 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15567 162.3
[M+Na]+ 278.13761 173.5
[M-H]- 254.14111 163.2
[M+NH4]+ 273.18221 178.6
[M+K]+ 294.11155 167.2
[M+H-H2O]+ 238.14565 155.0
[M+HCOO]- 300.14659 180.8
[M+CH3COO]- 314.16224 173.6
[M+Na-2H]- 276.12306 168.8
[M]+ 255.14784 161.4
[M]- 255.14894 161.4
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.