CID 135439996

Nsc644582

Structural Information

Molecular Formula
C16H15N5
SMILES
C1=CC=C(C=C1)N=C(N)N/N=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H15N5/c17-16(20-13-6-2-1-3-7-13)21-19-11-12-10-18-15-9-5-4-8-14(12)15/h1-11,18H,(H3,17,20,21)/b19-11+
InChIKey
FBKVMQMNXKDTOJ-YBFXNURJSA-N
Compound name
1-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.13275 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14003 158.8
[M+Na]+ 300.12197 165.3
[M-H]- 276.12547 166.3
[M+NH4]+ 295.16657 175.2
[M+K]+ 316.09591 159.9
[M+H-H2O]+ 260.13001 149.5
[M+HCOO]- 322.13095 187.7
[M+CH3COO]- 336.14660 170.6
[M+Na-2H]- 298.10742 167.4
[M]+ 277.13220 156.6
[M]- 277.13330 156.6
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.