CID 487974

423165-10-0

Structural Information

Molecular Formula
C20H22N6O
SMILES
CC1=C(C=CC(=C1)N=C(N)N)C2=CC=C(O2)C3=C(C=C(C=C3)N=C(N)N)C
InChI
InChI=1S/C20H22N6O/c1-11-9-13(25-19(21)22)3-5-15(11)17-7-8-18(27-17)16-6-4-14(10-12(16)2)26-20(23)24/h3-10H,1-2H3,(H4,21,22,25)(H4,23,24,26)
InChIKey
KOFVLPOSCTWTOE-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(diaminomethylideneamino)-2-methylphenyl]furan-2-yl]-3-methylphenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

23
Patents

362.18552 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.19280 191.7
[M+Na]+ 385.17474 197.3
[M-H]- 361.17824 203.9
[M+NH4]+ 380.21934 203.3
[M+K]+ 401.14868 194.1
[M+H-H2O]+ 345.18278 181.5
[M+HCOO]- 407.18372 220.0
[M+CH3COO]- 421.19937 236.7
[M+Na-2H]- 383.16019 190.9
[M]+ 362.18497 188.3
[M]- 362.18607 188.3
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

patents stripe