CID 9571581

159016-24-7

Structural Information

Molecular Formula
C13H18ClN3O2
SMILES
CC(C)(C)OC(=O)N/N=C(/CC1=CC=C(C=C1)Cl)\N
InChI
InChI=1S/C13H18ClN3O2/c1-13(2,3)19-12(18)17-16-11(15)8-9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3,(H2,15,16)(H,17,18)
InChIKey
LNCQFLSZOPKRQA-UHFFFAOYSA-N
Compound name
tert-butyl N-[(Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.10876 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11604 166.8
[M+Na]+ 306.09798 172.7
[M-H]- 282.10148 171.2
[M+NH4]+ 301.14258 183.2
[M+K]+ 322.07192 169.7
[M+H-H2O]+ 266.10602 160.6
[M+HCOO]- 328.10696 186.8
[M+CH3COO]- 342.12261 206.9
[M+Na-2H]- 304.08343 170.2
[M]+ 283.10821 168.6
[M]- 283.10931 168.6
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.