CID 375247

Nsc654636

Structural Information

Molecular Formula
C18H16N4O
SMILES
C1=CC=C(C=C1)OC(=NCCC2=CNC3=CC=CC=C32)NC#N
InChI
InChI=1S/C18H16N4O/c19-13-22-18(23-15-6-2-1-3-7-15)20-11-10-14-12-21-17-9-5-4-8-16(14)17/h1-9,12,21H,10-11H2,(H,20,22)
InChIKey
XVJFEGCIJZOKAV-UHFFFAOYSA-N
Compound name
phenyl N-cyano-N'-[2-(1H-indol-3-yl)ethyl]carbamimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.13242 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 176.9
[M+Na]+ 327.12164 185.6
[M-H]- 303.12514 180.7
[M+NH4]+ 322.16624 190.1
[M+K]+ 343.09558 177.7
[M+H-H2O]+ 287.12968 160.8
[M+HCOO]- 349.13062 197.5
[M+CH3COO]- 363.14627 185.7
[M+Na-2H]- 325.10709 181.7
[M]+ 304.13187 171.8
[M]- 304.13297 171.8
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.