CID 467889

Tcmdc-139863

Structural Information

Molecular Formula
C11H11N5
SMILES
CN1C=CC2=C1C=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C11H11N5/c1-16-5-4-6-8(16)3-2-7-9(6)10(12)15-11(13)14-7/h2-5H,1H3,(H4,12,13,14,15)
InChIKey
WSISEVQVCUARDZ-UHFFFAOYSA-N
Compound name
7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

213.10144 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10872 145.6
[M+Na]+ 236.09066 158.2
[M-H]- 212.09416 147.9
[M+NH4]+ 231.13526 164.1
[M+K]+ 252.06460 152.8
[M+H-H2O]+ 196.09870 137.7
[M+HCOO]- 258.09964 168.3
[M+CH3COO]- 272.11529 158.8
[M+Na-2H]- 234.07611 153.4
[M]+ 213.10089 146.0
[M]- 213.10199 146.0
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