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]+ 278.140026 158.8
[M+Na]+ 300.121968 165.3
[M-H]- 276.125474 166.3
[M+NH4]+ 295.166573 175.2
[M+K]+ 316.095908 159.9
[M+H-H2O]+ 260.130010 149.5
[M+HCOO]- 322.130951 187.7
[M+CH3COO]- 336.146601 170.6
[M+Na-2H]- 298.107416 167.4
[M]+ 277.13220142 156.6
[M]- 277.13329858 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.