CID 5742964

1-[(z)-[(1e)-1-(carbamimidoylhydrazono)cyclopenta[b]naphthalen-3-ylidene]amino]guanidine

Structural Information

Molecular Formula
C15H16N8
SMILES
C\1/C(=N\N=C(N)N)/C2=CC3=CC=CC=C3C=C2/C1=N\N=C(N)N
InChI
InChI=1S/C15H16N8/c16-14(17)22-20-12-7-13(21-23-15(18)19)11-6-9-4-2-1-3-8(9)5-10(11)12/h1-6H,7H2,(H4,16,17,22)(H4,18,19,23)/b20-12-,21-13+
InChIKey
UJQDRPLHEPIIAC-AYRZQKSOSA-N
Compound name
2-[(E)-[(1Z)-1-(diaminomethylidenehydrazinylidene)cyclopenta[b]naphthalen-3-ylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.14978 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15706 160.3
[M+Na]+ 331.13900 165.2
[M-H]- 307.14250 169.1
[M+NH4]+ 326.18360 177.9
[M+K]+ 347.11294 163.1
[M+H-H2O]+ 291.14704 151.3
[M+HCOO]- 353.14798 191.7
[M+CH3COO]- 367.16363 233.1
[M+Na-2H]- 329.12445 166.3
[M]+ 308.14923 154.5
[M]- 308.15033 154.5
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

No patent data available for this compound.