CID 135484867

Nsc644583

Structural Information

Molecular Formula
C17H17N5O
SMILES
COC1=CC=CC=C1N=C(N)N/N=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H17N5O/c1-23-16-9-5-4-8-15(16)21-17(18)22-20-11-12-10-19-14-7-3-2-6-13(12)14/h2-11,19H,1H3,(H3,18,21,22)/b20-11+
InChIKey
LNVYUQYTVYZGEA-RGVLZGJSSA-N
Compound name
1-[(E)-1H-indol-3-ylmethylideneamino]-2-(2-methoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1433 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15058 167.3
[M+Na]+ 330.13252 174.0
[M-H]- 306.13602 175.0
[M+NH4]+ 325.17712 182.7
[M+K]+ 346.10646 169.2
[M+H-H2O]+ 290.14056 157.7
[M+HCOO]- 352.14150 196.0
[M+CH3COO]- 366.15715 214.7
[M+Na-2H]- 328.11797 174.6
[M]+ 307.14275 167.1
[M]- 307.14385 167.1
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.