CID 24882007

Marsanidine

Structural Information

Molecular Formula
C10H11N5
SMILES
C1CN=C(N1)NN2C3=CC=CC=C3C=N2
InChI
InChI=1S/C10H11N5/c1-2-4-9-8(3-1)7-13-15(9)14-10-11-5-6-12-10/h1-4,7H,5-6H2,(H2,11,12,14)
InChIKey
PFTFJTOQCWYCNM-UHFFFAOYSA-N
Compound name
N-(4,5-dihydro-1H-imidazol-2-yl)indazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

121
Patents

201.10144 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10872 140.1
[M+Na]+ 224.09066 149.5
[M-H]- 200.09416 142.1
[M+NH4]+ 219.13526 157.4
[M+K]+ 240.06460 145.1
[M+H-H2O]+ 184.09870 130.9
[M+HCOO]- 246.09964 161.7
[M+CH3COO]- 260.11529 152.5
[M+Na-2H]- 222.07611 147.1
[M]+ 201.10089 138.4
[M]- 201.10199 138.4
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