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

2
Patents

253.1579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16518 160.0
[M+Na]+ 276.14712 165.2
[M-H]- 252.15062 165.6
[M+NH4]+ 271.19172 175.5
[M+K]+ 292.12106 160.0
[M+H-H2O]+ 236.15516 151.9
[M+HCOO]- 298.15610 184.8
[M+CH3COO]- 312.17175 204.2
[M+Na-2H]- 274.13257 163.5
[M]+ 253.15735 155.2
[M]- 253.15845 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