CID 6480860

1-[2-fluoro-5-[5-(4-fluoro-3-guanidino-phenyl)-1-methyl-pyrrol-2-yl]phenyl]guanidine

Structural Information

Molecular Formula
C19H19F2N7
SMILES
CN1C(=CC=C1C2=CC(=C(C=C2)F)N=C(N)N)C3=CC(=C(C=C3)F)N=C(N)N
InChI
InChI=1S/C19H19F2N7/c1-28-16(10-2-4-12(20)14(8-10)26-18(22)23)6-7-17(28)11-3-5-13(21)15(9-11)27-19(24)25/h2-9H,1H3,(H4,22,23,26)(H4,24,25,27)
InChIKey
RQAXDFKGNQJYOQ-UHFFFAOYSA-N
Compound name
2-[5-[5-[3-(diaminomethylideneamino)-4-fluorophenyl]-1-methylpyrrol-2-yl]-2-fluorophenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.167 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17428 189.6
[M+Na]+ 406.15622 196.7
[M-H]- 382.15972 197.9
[M+NH4]+ 401.20082 200.7
[M+K]+ 422.13016 191.2
[M+H-H2O]+ 366.16426 177.5
[M+HCOO]- 428.16520 215.9
[M+CH3COO]- 442.18085 240.4
[M+Na-2H]- 404.14167 187.5
[M]+ 383.16645 183.0
[M]- 383.16755 183.0
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.