CID 345657

1-(4-methylquinazolin-2-yl)guanidine

Structural Information

Molecular Formula
C10H11N5
SMILES
CC1=NC(=NC2=CC=CC=C12)N=C(N)N
InChI
InChI=1S/C10H11N5/c1-6-7-4-2-3-5-8(7)14-10(13-6)15-9(11)12/h2-5H,1H3,(H4,11,12,13,14,15)
InChIKey
ONQKSKDLYYDFLL-UHFFFAOYSA-N
Compound name
2-(4-methylquinazolin-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

136
Patents

201.10144 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10872 142.9
[M+Na]+ 224.09066 151.3
[M-H]- 200.09416 145.7
[M+NH4]+ 219.13526 160.0
[M+K]+ 240.06460 148.0
[M+H-H2O]+ 184.09870 134.6
[M+HCOO]- 246.09964 167.0
[M+CH3COO]- 260.11529 195.0
[M+Na-2H]- 222.07611 151.1
[M]+ 201.10089 140.2
[M]- 201.10199 140.2
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