CID 3684114

53131-21-8

Structural Information

Molecular Formula
C10H13N3O
SMILES
CC(=NNC(=O)C1=CC=CC=C1N)C
InChI
InChI=1S/C10H13N3O/c1-7(2)12-13-10(14)8-5-3-4-6-9(8)11/h3-6H,11H2,1-2H3,(H,13,14)
InChIKey
BDZSKGDMNGDCGN-UHFFFAOYSA-N
Compound name
2-amino-N-(propan-2-ylideneamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.10587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 142.6
[M+Na]+ 214.09509 148.5
[M-H]- 190.09859 147.3
[M+NH4]+ 209.13969 161.7
[M+K]+ 230.06903 147.2
[M+H-H2O]+ 174.10313 135.6
[M+HCOO]- 236.10407 169.4
[M+CH3COO]- 250.11972 192.9
[M+Na-2H]- 212.08054 147.3
[M]+ 191.10532 140.4
[M]- 191.10642 140.4
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.