CID 3061941

80018-37-7

Structural Information

Molecular Formula
C17H19ClN2O
SMILES
CCCCN=C(C1=CC=CC=C1O)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C17H19ClN2O/c1-2-3-10-20-17(13-6-4-5-7-16(13)21)14-11-12(18)8-9-15(14)19/h4-9,11,21H,2-3,10,19H2,1H3
InChIKey
JABVPPPBWYTZCX-UHFFFAOYSA-N
Compound name
2-[C-(2-amino-5-chlorophenyl)-N-butylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1186 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12588 172.1
[M+Na]+ 325.10782 179.3
[M-H]- 301.11132 178.2
[M+NH4]+ 320.15242 187.4
[M+K]+ 341.08176 173.0
[M+H-H2O]+ 285.11586 164.9
[M+HCOO]- 347.11680 191.7
[M+CH3COO]- 361.13245 208.9
[M+Na-2H]- 323.09327 174.2
[M]+ 302.11805 173.3
[M]- 302.11915 173.3
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

No patent data available for this compound.