CID 9654732

40754-13-0

Structural Information

Molecular Formula
C14H15N3
SMILES
C/C(=N\NC1=CC=CC=C1)/C2=CC=CC=C2N
InChI
InChI=1S/C14H15N3/c1-11(13-9-5-6-10-14(13)15)16-17-12-7-3-2-4-8-12/h2-10,17H,15H2,1H3/b16-11+
InChIKey
OHOPPWNOBIEEIT-LFIBNONCSA-N
Compound name
2-[(E)-N-anilino-C-methylcarbonimidoyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

225.1266 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.13388 150.5
[M+Na]+ 248.11582 156.0
[M-H]- 224.11932 157.9
[M+NH4]+ 243.16042 167.8
[M+K]+ 264.08976 152.4
[M+H-H2O]+ 208.12386 142.2
[M+HCOO]- 270.12480 178.0
[M+CH3COO]- 284.14045 199.3
[M+Na-2H]- 246.10127 157.2
[M]+ 225.12605 147.3
[M]- 225.12715 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe