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]+ 303.125876 172.1
[M+Na]+ 325.107818 179.3
[M-H]- 301.111324 178.2
[M+NH4]+ 320.152423 187.4
[M+K]+ 341.081758 173.0
[M+H-H2O]+ 285.115860 164.9
[M+HCOO]- 347.116801 191.7
[M+CH3COO]- 361.132451 208.9
[M+Na-2H]- 323.093266 174.2
[M]+ 302.11805142 173.3
[M]- 302.11914858 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.