CID 467895

Tcmdc-137864

Structural Information

Molecular Formula
C14H17N5
SMILES
CC1=CC2=C(N1C(C)C)C=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C14H17N5/c1-7(2)19-8(3)6-9-11(19)5-4-10-12(9)13(15)18-14(16)17-10/h4-7H,1-3H3,(H4,15,16,17,18)
InChIKey
WTYUZEFAFVALJC-UHFFFAOYSA-N
Compound name
8-methyl-7-propan-2-ylpyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

255.14839 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15567 161.2
[M+Na]+ 278.13761 172.9
[M-H]- 254.14111 163.5
[M+NH4]+ 273.18221 178.1
[M+K]+ 294.11155 167.4
[M+H-H2O]+ 238.14565 153.2
[M+HCOO]- 300.14659 181.8
[M+CH3COO]- 314.16224 173.2
[M+Na-2H]- 276.12306 165.4
[M]+ 255.14784 162.4
[M]- 255.14894 162.4
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

patents stripe