CID 3063602

Benzenecarboximidamide, 4-(2-(4-(aminomethyl)phenyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C16H19N3
SMILES
C1=CC(=CC=C1CCC2=CC=C(C=C2)C(=N)N)CN
InChI
InChI=1S/C16H19N3/c17-11-14-5-3-12(4-6-14)1-2-13-7-9-15(10-8-13)16(18)19/h3-10H,1-2,11,17H2,(H3,18,19)
InChIKey
UAHMXPRHNZFYGA-UHFFFAOYSA-N
Compound name
4-[2-[4-(aminomethyl)phenyl]ethyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

253.1579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.165176 160.0
[M+Na]+ 276.147118 165.2
[M-H]- 252.150624 165.6
[M+NH4]+ 271.191723 175.5
[M+K]+ 292.121058 160.0
[M+H-H2O]+ 236.155160 151.9
[M+HCOO]- 298.156101 184.8
[M+CH3COO]- 312.171751 204.2
[M+Na-2H]- 274.132566 163.5
[M]+ 253.15735142 155.2
[M]- 253.15844858 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe