CID 200223

1150-41-0

Structural Information

Molecular Formula
C14H13N5
SMILES
CC1=C2C(=NC(=N1)N=C(N)N)C=CC3=CC=CC=C32
InChI
InChI=1S/C14H13N5/c1-8-12-10-5-3-2-4-9(10)6-7-11(12)18-14(17-8)19-13(15)16/h2-7H,1H3,(H4,15,16,17,18,19)
InChIKey
RGFKZORXYSZRTQ-UHFFFAOYSA-N
Compound name
2-(1-methylbenzo[f]quinazolin-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

251.1171 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12438 155.2
[M+Na]+ 274.10632 165.2
[M-H]- 250.10982 159.3
[M+NH4]+ 269.15092 171.4
[M+K]+ 290.08026 159.9
[M+H-H2O]+ 234.11436 146.4
[M+HCOO]- 296.11530 179.1
[M+CH3COO]- 310.13095 167.3
[M+Na-2H]- 272.09177 165.0
[M]+ 251.11655 154.6
[M]- 251.11765 154.6
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