CID 121925

Indanidine

Structural Information

Molecular Formula
C11H13N5
SMILES
CN1C=C2C(=N1)C=CC=C2NC3=NCCN3
InChI
InChI=1S/C11H13N5/c1-16-7-8-9(3-2-4-10(8)15-16)14-11-12-5-6-13-11/h2-4,7H,5-6H2,1H3,(H2,12,13,14)
InChIKey
PNHJTLDBYZVCGW-UHFFFAOYSA-N
Compound name
N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylindazol-4-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

313
Patents

215.1171 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.124376 145.7
[M+Na]+ 238.106318 155.6
[M-H]- 214.109824 148.0
[M+NH4]+ 233.150923 162.8
[M+K]+ 254.080258 150.9
[M+H-H2O]+ 198.114360 136.6
[M+HCOO]- 260.115301 166.9
[M+CH3COO]- 274.130951 158.0
[M+Na-2H]- 236.091766 151.4
[M]+ 215.11655142 144.7
[M]- 215.11764858 144.7
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